UCSF

ZINC21794471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 33 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) 3.76 8.29 -45.62 3 9 1 99 450.519 7
Mid Mid (pH 6-8) 3.76 8.13 -43.28 3 9 1 99 450.519 7
Mid Mid (pH 6-8) 3.76 7.86 -18.87 2 9 0 98 449.511 7

Activity (Go SEA)

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