UCSF

ZINC33362345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 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) 3.40 5.98 -12.68 1 7 0 69 378.432 5
Mid Mid (pH 6-8) 3.40 6.32 -31.51 2 7 1 70 379.44 5
Lo Low (pH 4.5-6) 3.40 8.6 -91.01 3 7 2 71 380.448 5

Activity (Go SEA)

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