UCSF

ZINC31517214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 14 No

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) -2.89 0.46 -73.83 4 6 -1 128 224.173 6
Hi High (pH 8-9.5) -2.89 1.23 -209.75 2 6 -3 129 222.157 6
Mid Mid (pH 6-8) -2.89 1.55 -158.4 3 6 -2 131 223.165 6

Activity (Go SEA)

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