UCSF

ZINC34988852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 3.22 11.58 -106.87 2 3 2 26 290.451 6
Hi High (pH 8-9.5) 3.22 9.35 -40.47 1 3 1 25 289.443 6
Mid Mid (pH 6-8) 3.22 9.18 -38.73 1 3 1 25 289.443 6

Activity (Go SEA)

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