UCSF

ZINC37332093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.18 7.3 -35.91 1 3 1 25 247.362 4
Mid Mid (pH 6-8) 2.18 5.02 -7.2 0 3 0 24 246.354 4
Mid Mid (pH 6-8) 2.18 7.22 -38.71 1 3 1 25 247.362 4

Activity (Go SEA)

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