UCSF

ZINC33724992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 37 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) 4.93 13.91 -51.2 2 6 1 57 504.626 11
Hi High (pH 8-9.5) 4.93 11.37 -18.74 1 6 0 56 503.618 11

Activity (Go SEA)

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