UCSF

ZINC39849388

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

Popular Name: (2R)-1-[3-(diethylamino)propyl]-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(2-pyridyl)-2H-pyrrol-5- (2R)-1-[3-(diethylamino)propyl]-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 10.08 -79.01 1 7 0 91 409.486 10 ↓
Mid Mid (pH 6-8) 1.71 10.69 -110.04 2 7 1 92 410.494 10 ↓
Lo Low (pH 4.5-6) 1.71 9.8 -107.53 3 7 2 89 411.502 10 ↓
Lo Low (pH 4.5-6) 1.71 9.19 -46.52 2 7 1 88 410.494 10 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )