UCSF

ZINC32250106

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 10 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) 0.76 3.23 -31.62 1 2 1 8 143.254 1
Hi High (pH 8-9.5) 0.76 0.66 -1.18 0 2 0 6 142.246 1
Mid Mid (pH 6-8) 0.76 3.28 -31.54 1 2 1 8 143.254 1
Mid Mid (pH 6-8) 0.76 5.67 -95.33 2 2 2 9 144.262 1

Activity (Go SEA)

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