UCSF

ZINC02390967

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 23 No

Other Names:

MFCD00038337

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) 6.83 12.61 -5.68 0 2 0 22 309.453 9
Lo Low (pH 4.5-6) 6.83 12.25 -34.42 1 2 1 23 310.461 9
Lo Low (pH 4.5-6) 6.83 12.96 -32.24 1 2 1 23 310.461 9

Activity (Go SEA)

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