UCSF

ZINC26146262

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 22 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 2.58 -16.22 1 8 0 80 305.386 6
Mid Mid (pH 6-8) 1.61 4.64 -61.05 2 8 1 82 306.394 6

Activity (Go SEA)

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