UCSF

ZINC04697140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 19 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) 1.93 7.91 -45.94 1 4 1 42 326.214 4
Hi High (pH 8-9.5) 1.93 5.84 -9.13 0 4 0 41 325.206 4

Activity (Go SEA)

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