UCSF

ZINC21640002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 3.05 6.91 -9.53 0 5 0 41 362.836 3
Lo Low (pH 4.5-6) 3.05 7.2 -35.5 1 5 1 43 363.844 3
Lo Low (pH 4.5-6) 3.05 9.31 -58.18 1 5 1 43 363.844 3

Activity (Go SEA)

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