UCSF

ZINC33318776

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 3.49 6.62 -11.22 1 3 0 50 264.28 2
Mid Mid (pH 6-8) 3.49 7.42 -42.4 0 3 -1 53 263.272 2

Activity (Go SEA)

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