UCSF

ZINC66097963

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 19 No

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) 2.32 4.01 -14.2 2 5 0 84 264.277 2
Hi High (pH 8-9.5) 2.32 3.39 -39.7 1 5 -1 87 263.269 2
Hi High (pH 8-9.5) 2.32 4.41 -120.16 0 5 -2 89 262.261 2
Mid Mid (pH 6-8) 2.32 4.95 -47.99 1 5 -1 87 263.269 2

Activity (Go SEA)

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