UCSF

ZINC38219092

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 18 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) 0.12 0.3 -10.12 3 6 0 91 253.254 5
Mid Mid (pH 6-8) 0.12 0.63 -48.23 4 6 1 93 254.262 5

Activity (Go SEA)

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