UCSF

ZINC44674719

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 21 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) 4.18 12.33 -35.56 2 1 1 17 278.419 4
Mid Mid (pH 6-8) 4.18 11.31 -2.6 1 1 0 12 277.411 4

Activity (Go SEA)

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