UCSF

ZINC44993392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 21 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) 1.68 5.5 -42.84 3 5 1 62 307.443 5
Hi High (pH 8-9.5) 2.13 2.88 -54.86 2 5 0 65 306.435 5

Activity (Go SEA)

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

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