UCSF

ZINC43404319

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.53 1.06 -45.55 4 4 1 74 191.21 2
Hi High (pH 8-9.5) 0.53 0.66 -10.91 3 4 0 72 190.202 2

Activity (Go SEA)

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