UCSF

ZINC19729234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 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) 1.48 4.71 -44.3 2 3 1 33 260.386 3
Hi High (pH 8-9.5) 1.48 3.3 -5.2 1 3 0 28 259.378 3

Activity (Go SEA)

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