UCSF

ZINC19898498

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 33 No

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) 2.30 5.04 -67.96 0 8 -1 91 451.499 8
Mid Mid (pH 6-8) 2.30 7.39 -81.44 1 8 0 93 452.507 8
Lo Low (pH 4.5-6) 2.30 6.56 -53.82 2 8 1 90 453.515 8

Activity (Go SEA)

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