UCSF

ZINC06523125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 26 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) 6.31 11.71 -50.24 0 3 -1 53 365.474 4
Lo Low (pH 4.5-6) 6.31 11.04 -12.76 1 3 0 50 366.482 4

Activity (Go SEA)

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