UCSF

ZINC37187214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 3.50 7.14 -4.64 1 3 0 34 319.202 2
Mid Mid (pH 6-8) 3.50 7.6 -34.09 2 3 1 35 320.21 2

Activity (Go SEA)

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