UCSF

ZINC37041367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.31 2.63 -49.28 3 5 1 72 292.384 3
Mid Mid (pH 6-8) 2.31 1.43 -17.92 2 5 0 67 291.376 3

Activity (Go SEA)

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