UCSF

ZINC21641400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 29 Yes

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) 4.95 11.34 -10.5 0 6 0 65 391.471 6
Mid Mid (pH 6-8) 4.95 11.66 -31.17 1 6 1 66 392.479 6

Activity (Go SEA)

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