UCSF

ZINC57456480

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 25 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) 3.52 7.53 -12.2 1 5 0 62 357.479 4
Mid Mid (pH 6-8) 3.52 9.68 -47.58 2 5 1 63 358.487 4

Activity (Go SEA)

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