UCSF

ZINC21646158

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 32 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) 2.69 8.56 -62.98 2 9 1 98 443.503 9
Mid Mid (pH 6-8) 2.69 6.26 -14.67 1 9 0 97 442.495 9

Activity (Go SEA)

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