UCSF

ZINC02029971

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 22 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) 1.82 -3.14 -6.83 1 7 0 75 305.382 4
Mid Mid (pH 6-8) -2.23 -2.89 -33.84 2 7 1 78 306.39 3

Activity (Go SEA)

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