UCSF

ZINC61469139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 19 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) 2.15 7.57 -43.34 1 4 1 34 263.361 3
Mid Mid (pH 6-8) 2.15 5.01 -10.73 0 4 0 33 262.353 3

Activity (Go SEA)

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