UCSF

ZINC05729269

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 21 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) 3.72 -2.55 -11.47 1 4 0 59 304.415 6
Hi High (pH 8-9.5) 3.72 -1.99 -45.88 0 4 -1 61 303.407 6

Activity (Go SEA)

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