UCSF

ZINC08655151

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2007 16 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) 0.62 2.47 -15.37 3 6 0 98 217.232 0
Hi High (pH 8-9.5) 1.07 0.34 -51.39 2 6 -1 101 216.224 0

Activity (Go SEA)

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