UCSF

ZINC69660566

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 14 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) 1.16 4.18 -43.68 2 3 1 35 200.302 4
Hi High (pH 8-9.5) 1.16 2.95 -3.53 1 3 0 30 199.294 4

Activity (Go SEA)

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

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