UCSF

ZINC40933449

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 22 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) 3.76 6.97 -38.87 3 4 1 51 302.442 8
Mid Mid (pH 6-8) 3.76 7.46 -86.92 4 4 2 52 303.45 8

Activity (Go SEA)

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