UCSF

ZINC19810336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 31 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) 0.78 2.21 -19.88 1 8 0 92 464.613 6
Hi High (pH 8-9.5) 0.78 1.79 -47.51 0 8 -1 94 463.605 6
Mid Mid (pH 6-8) 0.78 2.61 -49.42 2 8 1 93 465.621 6

Activity (Go SEA)

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