UCSF

ZINC34975844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.04 6.32 -5.36 3 3 0 55 278.153 2
Mid Mid (pH 6-8) 3.05 6.43 -30.5 4 3 1 56 279.161 2

Activity (Go SEA)

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