UCSF

ZINC05652516

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 25 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) 2.51 -7.85 -14.53 1 6 0 83 384.454 5
Hi High (pH 8-9.5) 2.51 -7.27 -48.45 0 6 -1 85 383.446 5

Activity (Go SEA)

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