UCSF

ZINC01771426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 23 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) 3.94 10.9 -47.03 2 4 1 42 307.421 6
Lo Low (pH 4.5-6) 3.94 11.24 -77.08 3 4 2 43 308.429 6

Activity (Go SEA)

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