UCSF

ZINC33895030

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 24 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) 3.34 7.56 -7.78 0 4 0 31 327.424 7
Mid Mid (pH 6-8) 3.34 9.82 -39.06 1 4 1 32 328.432 7

Activity (Go SEA)

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