UCSF

ZINC25446729

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 3.23 5.94 -30.27 2 9 0 120 474.564 9
Mid Mid (pH 6-8) 3.29 5.04 -56.28 1 9 -1 126 473.556 9

Activity (Go SEA)

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