UCSF

ZINC41681633

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 1.61 4.84 -86.4 4 3 2 35 231.428 11
Mid Mid (pH 6-8) 1.61 5.18 -82.68 4 3 2 35 231.428 11
Mid Mid (pH 6-8) 1.61 7.29 -169.01 5 3 3 37 232.436 11

Activity (Go SEA)

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