UCSF

ZINC04016008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 30 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) 6.85 15.46 -13.36 0 2 0 26 384.482 4
Lo Low (pH 4.5-6) 6.85 1.48 -67.28 2 2 2 28 386.498 4
Lo Low (pH 4.5-6) 6.85 1.37 -35.64 1 2 1 27 385.49 4

Activity (Go SEA)

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