UCSF

ZINC06545282

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 30 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) 3.63 8.86 -15.86 2 6 0 80 421.522 6
Lo Low (pH 4.5-6) 3.63 9.14 -48.65 3 6 1 82 422.53 6

Activity (Go SEA)

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