UCSF

ZINC43457208

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 0.99 3.24 -44.14 3 4 1 43 278.42 6
Hi High (pH 8-9.5) 0.99 4.62 -33.97 3 4 1 43 278.42 6
Mid Mid (pH 6-8) 0.99 7.11 -193.24 5 4 3 46 280.436 6
Mid Mid (pH 6-8) 0.99 5.27 -86 4 4 2 45 279.428 6

Activity (Go SEA)

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