UCSF

ZINC04695914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 24 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) 4.85 9.03 -42.67 0 6 -1 90 403.237 4
Ref Reference (pH 7) 5.34 9.48 -11.85 1 6 0 91 404.245 3
Hi High (pH 8-9.5) 5.80 7.26 -50.47 0 6 -1 94 403.237 3

Activity (Go SEA)

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