UCSF

ZINC36770993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.74 6.68 -125.05 4 3 2 45 263.429 5
Mid Mid (pH 6-8) 1.74 5.27 -50.78 3 3 1 44 262.421 5

Activity (Go SEA)

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