UCSF

ZINC20591446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 22 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) 2.35 7.47 -33.35 1 5 1 57 294.382 2
Mid Mid (pH 6-8) 2.35 7.19 -10.24 0 5 0 56 293.374 2

Activity (Go SEA)

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