UCSF

ZINC34080405

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 16 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) 2.31 7.16 -36.94 2 3 1 43 220.292 4
Mid Mid (pH 6-8) 2.31 6.2 -7.02 1 3 0 38 219.284 4

Activity (Go SEA)

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