UCSF

ZINC22789479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 28 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) 2.52 6.25 -51.72 2 6 1 57 385.484 7
Mid Mid (pH 6-8) 2.52 5.59 -8.56 1 6 0 52 384.476 7

Activity (Go SEA)

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