UCSF

ZINC55615072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.99 1.95 -15.08 3 5 0 89 308.334 4
Mid Mid (pH 6-8) 1.99 2.01 -52.52 2 5 -1 91 307.326 4

Activity (Go SEA)

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