UCSF

ZINC38609901

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.64 9.88 -14.15 2 7 0 91 474.52 6
Mid Mid (pH 6-8) 4.64 10.66 -54.45 1 7 -1 94 473.512 6

Activity (Go SEA)

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