UCSF

ZINC34993270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.01 5.93 -8.88 2 3 0 41 262.397 6
Mid Mid (pH 6-8) 3.01 6.93 -40.09 3 3 1 46 263.405 6

Activity (Go SEA)

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