UCSF

ZINC08012513

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 24 No

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) 3.69 6.76 -15.41 2 6 0 84 323.352 3
Hi High (pH 8-9.5) 3.69 7.77 -63.1 1 6 -1 87 322.344 3

Activity (Go SEA)

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