UCSF

ZINC40877589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 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) 1.13 4.34 -31.62 2 3 1 38 225.337 3
Mid Mid (pH 6-8) 1.13 4.09 -6.59 1 3 0 36 224.329 3

Activity (Go SEA)

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