UCSF

ZINC20600801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 31 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) 1.89 7.34 -49.48 1 8 1 64 426.541 4
Mid Mid (pH 6-8) 1.89 7.41 -50.56 1 8 1 64 426.541 4
Mid Mid (pH 6-8) 1.89 5.09 -12.88 0 8 0 63 425.533 4

Activity (Go SEA)

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