UCSF

ZINC15679066

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 26 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) 4.67 12.48 -10.28 0 4 0 38 355.457 2
Mid Mid (pH 6-8) 4.67 12.59 -28.73 1 4 1 39 356.465 2

Activity (Go SEA)

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