UCSF

ZINC20135015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 2.63 5.7 -8.02 1 4 0 39 259.353 4
Lo Low (pH 4.5-6) 2.63 5.8 -30.97 2 4 1 40 260.361 4

Activity (Go SEA)

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