UCSF

ZINC04659792

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 28 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) 2.68 2.96 -11.41 4 7 0 117 374.4 3
Lo Low (pH 4.5-6) 2.68 3.19 -62.79 5 7 1 119 375.408 3

Activity (Go SEA)

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