UCSF

ZINC42779501

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.94 7.47 -32.51 3 2 1 30 265.446 1
Mid Mid (pH 6-8) 2.94 5.46 -2.29 2 2 0 29 264.438 1
Mid Mid (pH 6-8) 2.94 5.93 -41.76 3 2 1 31 265.446 1

Activity (Go SEA)

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