UCSF

ZINC00903349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 28 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 9.37 -21.07 1 6 0 67 376.46 6
Hi High (pH 8-9.5) 3.81 9.67 -20.34 1 9 0 106 436.516 7
Lo Low (pH 4.5-6) 2.04 9.85 -40.04 2 6 1 68 377.468 6

Activity (Go SEA)

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