UCSF

ZINC51364303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 35 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) 1.04 14.2 -64.71 2 8 1 85 485.58 8
Mid Mid (pH 6-8) 1.04 11.99 -22.25 1 8 0 84 484.572 8

Activity (Go SEA)

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