UCSF

ZINC40764155

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 26 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) 2.88 8.95 -7.51 1 6 0 85 362.47 11
Lo Low (pH 4.5-6) 2.88 9.41 -37.04 2 6 1 87 363.478 11

Activity (Go SEA)

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