UCSF

ZINC45693982

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.46 5.6 -81.57 3 3 2 24 229.412 7
Hi High (pH 8-9.5) 1.46 3.13 -36.54 2 3 1 23 228.404 7
Mid Mid (pH 6-8) 1.46 5.04 -95.08 3 3 2 24 229.412 7
Lo Low (pH 4.5-6) 1.46 7.5 -180.41 4 3 3 25 230.42 7

Activity (Go SEA)

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