UCSF

ZINC42446422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

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) 1.85 4.37 -27.21 3 3 1 34 254.442 4
Hi High (pH 8-9.5) 1.85 4.49 -33.88 3 3 1 34 254.442 4
Mid Mid (pH 6-8) 1.85 4.84 -120.87 4 3 2 35 255.45 4
Mid Mid (pH 6-8) 1.85 6.61 -94.03 4 3 2 35 255.45 4
Lo Low (pH 4.5-6) 1.85 7.08 -217.53 5 3 3 37 256.458 4

Activity (Go SEA)

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