UCSF

ZINC36996773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 3.22 8.07 -31.87 2 2 1 16 265.446 3
Lo Low (pH 4.5-6) 3.22 6.83 -34.94 2 2 1 20 265.446 3
Lo Low (pH 4.5-6) 3.22 9.09 -105.17 3 2 2 21 266.454 3

Activity (Go SEA)

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