UCSF

ZINC37001327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

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) 1.24 3.98 -36.44 3 4 1 46 260.427 6
Mid Mid (pH 6-8) 1.24 5.53 -100.3 4 4 2 50 261.435 6

Activity (Go SEA)

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