UCSF

ZINC37019327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.49 -2.17 -54.35 4 6 1 88 226.256 6
Mid Mid (pH 6-8) -0.49 -2.57 -11.85 3 6 0 86 225.248 6

Activity (Go SEA)

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