UCSF

ZINC44683868

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.44 6.11 -42.99 2 3 1 29 261.389 6
Lo Low (pH 4.5-6) 2.44 8.44 -114.3 3 3 2 30 262.397 6
Lo Low (pH 4.5-6) 2.44 7.23 -34.16 2 3 1 26 261.389 6

Activity (Go SEA)

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