UCSF

ZINC44518783

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 0.41 3.81 -83.51 4 3 2 35 213.369 2
Mid Mid (pH 6-8) 0.41 5.44 -91.57 4 3 2 35 213.369 2
Lo Low (pH 4.5-6) 0.41 5.76 -174.35 5 3 3 37 214.377 2

Activity (Go SEA)

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