UCSF

ZINC57342591

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 26 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) 3.02 6.36 -13.94 1 5 0 55 358.482 7
Mid Mid (pH 6-8) 3.02 8.64 -50.06 2 5 1 56 359.49 7

Activity (Go SEA)

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