UCSF

ZINC43994322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.45 7.93 -100.59 3 3 2 36 217.316 4
Hi High (pH 8-9.5) 1.45 6.25 -6.2 1 3 0 30 215.3 4
Mid Mid (pH 6-8) 1.45 7.45 -44.5 2 3 1 34 216.308 4

Activity (Go SEA)

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