UCSF

ZINC34691462

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 28 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) 1.35 4.05 -12.02 1 6 0 62 404.429 9
Mid Mid (pH 6-8) 1.35 6.36 -42.12 2 6 1 63 405.437 9

Activity (Go SEA)

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