UCSF

ZINC37871305

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 2.25 8.31 -32.25 2 3 1 40 260.405 8
Mid Mid (pH 6-8) 2.25 8.87 -114.62 3 3 2 45 261.413 8
Mid Mid (pH 6-8) 2.25 7.3 -43.39 2 3 1 44 260.405 8

Activity (Go SEA)

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