UCSF

ZINC12854560

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 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) 2.45 7.3 -22.62 1 5 0 62 369.418 2
Hi High (pH 8-9.5) 2.64 5.42 -51.39 0 5 -1 69 368.41 2

Activity (Go SEA)

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