UCSF

ZINC01356339

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 4.61 7.98 -11.42 2 4 0 61 331.466 4
Lo Low (pH 4.5-6) 4.61 8.31 -24.24 3 4 1 62 332.474 4
Lo Low (pH 4.5-6) 4.61 5.03 -28.97 3 4 1 62 332.474 4

Activity (Go SEA)

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