UCSF

ZINC37825140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.96 4.72 -39.07 2 4 1 37 260.427 6
Mid Mid (pH 6-8) 0.96 6.21 -104.32 3 4 2 41 261.435 6

Activity (Go SEA)

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