UCSF

ZINC70616839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 1.21 3.68 -37.49 2 3 1 26 211.329 3
Lo Low (pH 4.5-6) 1.21 4.71 -113.1 3 3 2 30 212.337 3

Activity (Go SEA)

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