UCSF

ZINC37275896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 2.47 5.09 -39.17 4 4 1 60 292.79 4
Mid Mid (pH 6-8) 2.47 2.81 -8.84 3 4 0 58 291.782 4

Activity (Go SEA)

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