UCSF

ZINC36771026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 1.05 4.15 -55.05 3 3 1 44 260.336 5
Mid Mid (pH 6-8) 1.05 6.15 -139 4 3 2 45 261.344 5

Activity (Go SEA)

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