UCSF

ZINC04146259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 31 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) 4.27 -4.25 -15.63 2 7 0 87 459.593 8
Hi High (pH 8-9.5) 4.27 -3.67 -51.14 1 7 -1 89 458.585 8

Activity (Go SEA)

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