UCSF

ZINC00285506

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 14 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) -2.73 1.97 -54.28 2 6 -1 98 196.186 4
Mid Mid (pH 6-8) -2.73 2.47 -69.59 3 6 0 99 197.194 4

Activity (Go SEA)

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