UCSF

ZINC42771625

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.09 10.41 -37.48 1 3 0 45 287.384 3
Mid Mid (pH 6-8) 3.09 8.94 -50.18 0 3 -1 43 286.376 3

Activity (Go SEA)

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