UCSF

ZINC11535763

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 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) 1.99 9.99 -35.64 1 4 1 35 245.35 2
Mid Mid (pH 6-8) 1.99 10.45 -91.56 2 4 2 36 246.358 2

Activity (Go SEA)

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