UCSF

ZINC40770118

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 18 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) 2.33 7.16 -91.92 3 3 2 24 255.45 6
Mid Mid (pH 6-8) 2.33 6.9 -106.64 3 3 2 24 255.45 6
Mid Mid (pH 6-8) 2.33 4.78 -34.08 2 3 1 23 254.442 6

Activity (Go SEA)

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