UCSF

ZINC34991625

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) 1.14 7.38 -46.06 2 4 1 44 246.334 6
Hi High (pH 8-9.5) 1.14 6.13 -7.62 1 4 0 39 245.326 6
Mid Mid (pH 6-8) 1.14 7.9 -83.33 3 4 2 45 247.342 6

Activity (Go SEA)

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