UCSF

ZINC34865114

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 3.25 8.95 -49.39 2 6 -1 102 342.371 8
Mid Mid (pH 6-8) 3.25 9.26 -75.62 3 6 0 103 343.379 8

Activity (Go SEA)

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