UCSF

ZINC34963630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 2.25 7.12 -29.03 3 2 1 30 261.414 5
Hi High (pH 8-9.5) 2.25 5.02 -3.27 2 2 0 29 260.406 5
Mid Mid (pH 6-8) 2.25 5.83 -46.91 3 2 1 31 261.414 5

Activity (Go SEA)

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