UCSF

ZINC44687434

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) 2.04 5.71 -45.14 2 3 1 29 259.373 4
Lo Low (pH 4.5-6) 2.04 8.06 -117.37 3 3 2 30 260.381 4
Lo Low (pH 4.5-6) 2.04 6.84 -35.37 2 3 1 26 259.373 4

Activity (Go SEA)

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