UCSF

ZINC33494430

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 15 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) 1.31 2.22 -12.26 1 5 0 59 209.201 1
Mid Mid (pH 6-8) 1.31 3.25 -61.5 0 5 -1 62 208.193 1

Activity (Go SEA)

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