UCSF

ZINC20591693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 26 No

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) -0.40 1.14 -12.52 2 8 0 91 360.414 6
Ref Reference (pH 7) -0.40 1.15 -12.49 2 8 0 91 360.414 6
Mid Mid (pH 6-8) -0.40 3.42 -46.76 3 8 1 92 361.422 6
Mid Mid (pH 6-8) -0.40 3.42 -46.97 3 8 1 92 361.422 6

Activity (Go SEA)

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