UCSF

ZINC43968926

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 1.65 6.93 -112.91 3 3 2 34 237.391 7
Hi High (pH 8-9.5) 1.65 5.46 -40.4 2 3 1 33 236.383 7
Mid Mid (pH 6-8) 1.65 5.76 -36.27 2 3 1 29 236.383 7

Activity (Go SEA)

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