UCSF

ZINC36768964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.17 0.45 -7.52 3 5 0 68 280.368 6
Mid Mid (pH 6-8) 1.17 2.75 -41.66 4 5 1 69 281.376 6

Activity (Go SEA)

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