UCSF

ZINC36199756

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 0.95 7.84 -7.73 2 3 0 46 282.387 5
Mid Mid (pH 6-8) 0.95 8.17 -43.42 3 3 1 48 283.395 5

Activity (Go SEA)

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