UCSF

ZINC95627940

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2014 49 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) -3.17 -3.29 -64.85 10 16 -1 272 685.755 19
Mid Mid (pH 6-8) -3.17 -3.25 -95.44 11 16 0 274 686.763 19

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.