UCSF

ZINC02791819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 27 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) 3.95 11.86 -20.28 1 6 0 64 402.907 6
Mid Mid (pH 6-8) 4.68 11.7 -50.83 0 6 -1 62 401.899 6

Activity (Go SEA)

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