UCSF

ZINC43994055

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 1.95 8.38 -99.11 3 3 2 36 243.354 2
Hi High (pH 8-9.5) 1.95 6.69 -5.37 1 3 0 30 241.338 2
Mid Mid (pH 6-8) 1.95 7.9 -42.04 2 3 1 34 242.346 2

Activity (Go SEA)

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