UCSF

ZINC37230972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 4.10 7.59 -5.16 1 3 0 30 261.413 2
Mid Mid (pH 6-8) 4.10 7.71 -25.47 2 3 1 31 262.421 2

Activity (Go SEA)

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