UCSF

ZINC36778467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) -0.55 3.43 -10.85 3 6 0 92 284.319 4
Lo Low (pH 4.5-6) -0.55 3.95 -36.17 4 6 1 93 285.327 4

Activity (Go SEA)

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