UCSF

ZINC20596097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.16 3.1 -43.68 3 3 1 34 260.405 3
Lo Low (pH 4.5-6) 1.16 5.29 -109.76 4 3 2 35 261.413 3

Activity (Go SEA)

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