UCSF

ZINC19474422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 11 No

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) 0.03 1.47 -39.12 4 4 1 63 158.225 3
Hi High (pH 8-9.5) 0.03 -1.05 -7.32 3 4 0 62 157.217 3

Activity (Go SEA)

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