UCSF

ZINC37873545

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 1.30 2 -12.09 2 5 0 68 273.716 8
Mid Mid (pH 6-8) 1.30 3.34 -52.47 3 5 1 72 274.724 8

Activity (Go SEA)

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