UCSF

ZINC69706569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 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) 1.98 2.84 -7.96 2 4 0 47 344.43 6
Mid Mid (pH 6-8) 1.98 5.12 -38.34 3 4 1 48 345.438 6
Mid Mid (pH 6-8) 1.98 5.09 -39.15 3 4 1 48 345.438 6

Activity (Go SEA)

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