UCSF

ZINC28962938

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 22 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) 3.62 9.24 -33.85 1 3 1 17 303.47 6
Lo Low (pH 4.5-6) 3.62 11.58 -105.77 2 3 2 18 304.478 6
Lo Low (pH 4.5-6) 3.62 9.38 -39.86 1 3 1 17 303.47 6

Activity (Go SEA)

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