UCSF

ZINC36226184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.47 2.67 -39.44 4 4 1 59 193.274 1
Hi High (pH 8-9.5) 0.47 1.37 -5.57 3 4 0 54 192.266 1
Mid Mid (pH 6-8) 0.47 3.13 -87.43 5 4 2 60 194.282 1

Activity (Go SEA)

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