UCSF

ZINC55211359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 26 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) 3.46 8.91 -42.09 2 3 1 28 355.477 4
Hi High (pH 8-9.5) 3.46 6.4 -5.52 1 3 0 27 354.469 4
Mid Mid (pH 6-8) 3.46 8.49 -47.39 2 3 1 28 355.477 4

Activity (Go SEA)

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