UCSF

ZINC51570428

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 3.20 5.4 -39.56 2 3 1 39 312.162 4
Mid Mid (pH 6-8) 3.20 3.94 -7.47 1 3 0 34 311.154 4

Activity (Go SEA)

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