UCSF

ZINC35385882

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) -0.12 5.87 -52.16 2 5 0 77 268.338 5
Hi High (pH 8-9.5) -0.12 4.52 -46.9 1 5 -1 72 267.33 5

Activity (Go SEA)

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