UCSF

ZINC43967153

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) 1.10 4 -39.95 2 4 1 38 225.36 6
Hi High (pH 8-9.5) 1.10 4.75 -37.05 2 4 1 34 225.36 6
Mid Mid (pH 6-8) 1.10 5.85 -108.93 3 4 2 39 226.368 6

Activity (Go SEA)

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