UCSF

ZINC37010445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.64 9.52 -39.62 2 5 1 62 294.419 10
Mid Mid (pH 6-8) 2.64 8.62 -51.65 2 5 1 66 294.419 10

Activity (Go SEA)

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