UCSF

ZINC20841520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 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) 3.08 8.08 -37.07 1 3 1 17 271.384 4
Mid Mid (pH 6-8) 3.08 8.01 -37.2 1 3 1 17 271.384 4
Mid Mid (pH 6-8) 3.08 5.62 -5.71 0 3 0 16 270.376 4

Activity (Go SEA)

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