UCSF

ZINC24602368

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 19 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) 3.04 4.46 -6.37 1 4 0 45 358.286 2
Hi High (pH 8-9.5) 3.11 3.49 -39.4 0 4 -1 52 357.278 2
Mid Mid (pH 6-8) 3.04 7.2 -46.25 2 4 1 46 359.294 2

Activity (Go SEA)

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