UCSF

ZINC34996228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 5.05 9.25 -41.46 2 1 1 17 376.137 4
Mid Mid (pH 6-8) 5.05 8.25 -2.59 1 1 0 12 375.129 4

Activity (Go SEA)

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