UCSF

ZINC52542626

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 14 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) 1.38 3.87 -37.92 2 3 1 29 203.35 9
Hi High (pH 8-9.5) 1.38 3.18 -1.8 1 3 0 24 202.342 9
Mid Mid (pH 6-8) 1.38 5.65 -106.01 3 3 2 30 204.358 9

Activity (Go SEA)

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