UCSF

ZINC39881431

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.90 11.8 -31.56 2 5 1 59 395.486 4
Mid Mid (pH 6-8) 3.90 11.65 -15.74 1 5 0 58 394.478 4
Lo Low (pH 4.5-6) 3.90 12.21 -73.51 3 5 2 61 396.494 4

Activity (Go SEA)

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