UCSF

ZINC33796231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 31 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) 6.14 9.71 -35.54 4 4 1 65 420.573 6
Mid Mid (pH 6-8) 6.14 7.38 -5.51 3 4 0 64 419.565 6

Activity (Go SEA)

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