UCSF

ZINC19370383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 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) 2.49 8.99 -89.69 2 4 2 21 319.493 5
Mid Mid (pH 6-8) 2.49 6.51 -40.82 1 4 1 20 318.485 5
Mid Mid (pH 6-8) 2.49 8.8 -108.15 2 4 2 21 319.493 5

Activity (Go SEA)

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