UCSF

ZINC60023628

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 1.94 5.38 -9.2 1 5 0 48 322.412 4
Mid Mid (pH 6-8) 1.94 7.64 -48.07 2 5 1 50 323.42 4
Lo Low (pH 4.5-6) 1.94 8.1 -96.53 3 5 2 51 324.428 4

Activity (Go SEA)

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

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