UCSF

ZINC33824761

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 1.76 4.08 -42.97 2 2 1 26 164.228 1
Hi High (pH 8-9.5) 1.76 2.79 -3.59 1 2 0 21 163.22 1

Activity (Go SEA)

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