UCSF

ZINC02804136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 2.80 -1.03 -17.52 1 8 0 94 451.286 6
Hi High (pH 8-9.5) 2.80 -0.47 -48 0 8 -1 96 450.278 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.