UCSF

ZINC20253431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.53 5.87 -33.31 2 3 1 29 270.466 8
Mid Mid (pH 6-8) 2.53 4.93 -36.19 2 3 1 33 270.466 8
Mid Mid (pH 6-8) 2.53 7.1 -120.25 3 3 2 34 271.474 8

Activity (Go SEA)

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