UCSF

ZINC37087388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 Yes

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) 0.13 4.96 -45.95 3 5 1 63 260.365 3
Hi High (pH 8-9.5) 0.13 3.51 -8.71 2 5 0 59 259.357 3

Activity (Go SEA)

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