UCSF

ZINC34957982

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 0.72 4.08 -45.63 1 5 -1 86 213.238 5
Hi High (pH 8-9.5) 1.18 2.1 -95.96 0 5 -2 89 212.23 5

Activity (Go SEA)

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