UCSF

ZINC11841466

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 38 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) 3.16 1.72 -44.66 1 8 1 75 520.65 12
Lo Low (pH 4.5-6) 3.16 1.94 -91.79 2 8 2 76 521.658 12

Activity (Go SEA)

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