UCSF

ZINC61994303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 20 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) 3.24 6.83 -36.23 2 3 1 26 350.227 8
Hi High (pH 8-9.5) 3.24 4.53 -4.37 1 3 0 24 349.219 8
Mid Mid (pH 6-8) 3.24 8.21 -118.49 3 3 2 30 351.235 8
Mid Mid (pH 6-8) 3.24 5.92 -42.85 2 3 1 29 350.227 8

Activity (Go SEA)

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