UCSF

ZINC35458832

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 34 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) 0.95 6.92 -18.98 1 8 0 82 462.55 6
Mid Mid (pH 6-8) 0.95 9.17 -53.95 2 8 1 83 463.558 6

Activity (Go SEA)

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