UCSF

ZINC27840337

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 28 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) 4.43 8.96 -57.03 2 8 -1 122 442.249 6
Mid Mid (pH 6-8) 4.43 7.96 -19.8 3 8 0 120 443.257 6

Activity (Go SEA)

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