UCSF

ZINC20000113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 2.53 6.16 -12.2 2 7 0 127 373.416 3
Lo Low (pH 4.5-6) 2.53 5.98 -53.8 3 7 1 129 374.424 3

Activity (Go SEA)

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