UCSF

ZINC19682125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 29 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) 3.36 7.17 -48.68 2 6 1 67 395.479 4
Mid Mid (pH 6-8) 3.36 7.08 -47.24 2 6 1 67 395.479 4
Mid Mid (pH 6-8) 3.36 4.81 -12.64 1 6 0 66 394.471 4

Activity (Go SEA)

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