UCSF

ZINC20373072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.13 6.4 -46.16 2 6 1 59 327.408 4
Mid Mid (pH 6-8) 2.13 3.93 -14.16 1 6 0 58 326.4 4

Activity (Go SEA)

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