UCSF

ZINC34920709

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 1.68 3.12 -13.4 1 7 0 71 401.507 5
Mid Mid (pH 6-8) 1.68 5.4 -57.66 2 7 1 72 402.515 5

Activity (Go SEA)

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