UCSF

ZINC20535376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 26 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) 3.08 4.77 -41.32 3 5 1 57 363.522 7
Hi High (pH 8-9.5) 3.08 2.61 -9.69 2 5 0 56 362.514 7
Mid Mid (pH 6-8) 3.08 5.05 -47.53 3 5 1 57 363.522 7

Activity (Go SEA)

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