UCSF

ZINC02804244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 24 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) 1.01 -2.12 -17.8 1 8 0 94 350.379 6
Hi High (pH 8-9.5) 1.01 -1.55 -52.15 0 8 -1 96 349.371 6

Activity (Go SEA)

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

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