UCSF

ZINC09108892

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 0.40 2.72 -49.1 2 7 -1 103 305.31 5
Mid Mid (pH 6-8) 1.25 0.96 -13.74 3 7 0 105 306.318 5

Activity (Go SEA)

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