UCSF

ZINC33010416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 2.92 9.26 -73.81 2 8 0 99 420.469 6
Mid Mid (pH 6-8) 2.92 9.52 -101.75 3 8 1 100 421.477 6
Mid Mid (pH 6-8) 2.92 7.05 -46.65 2 8 0 99 420.469 6
Mid Mid (pH 6-8) 2.92 6.79 -53.66 1 8 -1 98 419.461 6

Activity (Go SEA)

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