UCSF

ZINC31544446

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 20 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) -2.64 -3.11 -162.57 3 10 -2 163 305.183 4
Mid Mid (pH 6-8) -2.64 -4.27 -67.4 4 10 -1 160 306.191 4

Activity (Go SEA)

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