UCSF

ZINC01079604

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 38 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) 5.02 6.18 -22.6 3 9 0 131 572.064 9
Hi High (pH 8-9.5) 5.02 6.24 -105.94 1 9 -2 135 570.048 9
Mid Mid (pH 6-8) 5.02 6.2 -59.22 2 9 -1 133 571.056 9

Activity (Go SEA)

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