UCSF

ZINC38609562

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 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) 4.69 8.94 -11.63 2 5 0 69 361.445 6
Mid Mid (pH 6-8) 4.69 9.7 -51.87 1 5 -1 72 360.437 6

Activity (Go SEA)

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