UCSF

ZINC11442635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2007 33 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) 4.42 0.49 -17.92 1 5 0 71 452.583 9
Mid Mid (pH 6-8) 4.42 0.68 -43.65 2 5 1 72 453.591 9

Activity (Go SEA)

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