UCSF

ZINC36753980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 1.44 3.83 -44.53 3 4 1 49 277.388 3
Mid Mid (pH 6-8) 1.44 6.14 -110.22 4 4 2 51 278.396 3

Activity (Go SEA)

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