UCSF

ZINC21629515

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 31 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) 3.24 7.29 -55.49 2 8 1 97 450.512 8
Mid Mid (pH 6-8) 3.24 8.18 -19.09 1 8 0 96 449.504 8

Activity (Go SEA)

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