UCSF

ZINC23114595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 18 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) 1.48 3.54 -34.87 2 4 1 37 257.398 5
Mid Mid (pH 6-8) 1.48 1.08 -4.01 1 4 0 36 256.39 5

Activity (Go SEA)

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