UCSF

ZINC40175396

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 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) 0.90 7.39 -42.97 1 4 0 49 208.261 3
Mid Mid (pH 6-8) 0.90 5.28 -43.88 0 4 -1 48 207.253 3

Activity (Go SEA)

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