UCSF

ZINC52299663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 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) 1.20 4.89 -53.48 4 3 1 57 247.293 2
Hi High (pH 8-9.5) 1.20 4.48 -11.38 3 3 0 55 246.285 2

Activity (Go SEA)

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