UCSF

ZINC34684088

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 3.60 11.54 -41.38 2 4 1 37 400.546 7
Mid Mid (pH 6-8) 3.60 11.54 -41.99 2 4 1 37 400.546 7
Mid Mid (pH 6-8) 3.60 9.27 -9.42 1 4 0 36 399.538 7

Activity (Go SEA)

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