UCSF

ZINC70635370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.25 6.05 -113.75 4 2 2 32 212.381 7
Mid Mid (pH 6-8) 2.25 5.56 -24.62 3 2 1 30 211.373 7

Activity (Go SEA)

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