UCSF

ZINC21871651

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 3.35 7.21 -8.39 1 2 0 29 251.395 3
Mid Mid (pH 6-8) 3.41 5.52 -5.65 1 2 0 33 251.395 3

Activity (Go SEA)

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