UCSF

ZINC12602482

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 28 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) 2.42 7.4 -18.82 1 7 0 76 396.52 2
Hi High (pH 8-9.5) 2.49 6.45 -55.87 0 7 -1 82 395.512 2
Mid Mid (pH 6-8) 2.42 10.26 -76.49 3 7 2 78 398.536 2

Activity (Go SEA)

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