UCSF

ZINC01110332

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 34 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) 3.52 9.17 -14.98 1 7 0 93 454.482 7
Mid Mid (pH 6-8) 2.94 9.88 -20.43 0 7 0 90 454.482 7
Lo Low (pH 4.5-6) 3.96 9.15 -67.63 2 7 1 94 455.49 6
Lo Low (pH 4.5-6) 2.94 10.17 -53.36 1 7 1 91 455.49 7

Activity (Go SEA)

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