UCSF

ZINC05126175

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 29 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) 5.13 7.91 -15.86 3 6 0 90 382.423 5
Mid Mid (pH 6-8) 5.13 9.72 -22.99 3 6 0 95 382.423 5
Lo Low (pH 4.5-6) 5.13 8.24 -44.48 4 6 1 92 383.431 5

Activity (Go SEA)

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