UCSF

ZINC05760534

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 19 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) 2.08 2.3 -42.97 4 4 1 66 266.361 8
Hi High (pH 8-9.5) 2.08 1.01 -6.68 3 4 0 62 265.353 8

Activity (Go SEA)

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