UCSF

ZINC06547738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 29 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) 1.13 7.71 -15.25 1 7 0 88 389.459 8
Lo Low (pH 4.5-6) 1.13 7.98 -44.2 2 7 1 89 390.467 8

Activity (Go SEA)

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