UCSF

ZINC37053076

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) 0.29 1.38 -59.61 2 7 -1 124 277.285 3
Lo Low (pH 4.5-6) 0.29 1.27 -15.05 3 7 0 122 278.293 3

Activity (Go SEA)

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