UCSF

ZINC36980155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.17 8.81 -36.32 2 4 1 52 290.383 9
Mid Mid (pH 6-8) 3.17 7.68 -9.53 1 4 0 48 289.375 9

Activity (Go SEA)

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