UCSF

ZINC00603376

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 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 -8.88 -13.9 7 8 0 149 359.393 3
Mid Mid (pH 6-8) 1.74 -8.65 -37.8 8 8 1 151 360.401 3

Activity (Go SEA)

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