UCSF

ZINC31772058

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 12 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) 1.70 4.92 -31.89 5 3 1 64 164.232 2
Hi High (pH 8-9.5) 1.57 4.46 -11.02 4 3 0 64 163.224 1

Activity (Go SEA)

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