UCSF

ZINC06182163

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 25 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) 3.42 3.74 -17.37 1 7 0 90 421.276 6
Lo Low (pH 4.5-6) 3.42 3.5 -38.11 2 7 1 91 422.284 6

Activity (Go SEA)

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