UCSF

ZINC45662595

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.79 4.78 -42.32 3 3 1 40 257.442 4
Mid Mid (pH 6-8) 2.79 5.74 -112.67 4 3 2 41 258.45 4

Activity (Go SEA)

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