UCSF

ZINC34981224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 0.77 3.73 -46.25 2 5 1 59 241.311 7
Hi High (pH 8-9.5) 0.76 2.36 -5.93 1 5 0 55 240.303 7
Mid Mid (pH 6-8) 0.77 6.2 -121.31 3 5 2 60 242.319 7
Mid Mid (pH 6-8) 0.77 4.83 -40.11 2 5 1 56 241.311 7

Activity (Go SEA)

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