UCSF

ZINC45651182

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 12 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) 0.29 1.7 -100.33 4 3 2 41 174.288 4
Mid Mid (pH 6-8) 0.29 0.48 -30.85 3 3 1 37 173.28 4
Lo Low (pH 4.5-6) 0.29 -0.66 -34.7 3 3 1 40 173.28 4

Activity (Go SEA)

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