UCSF

ZINC34994096

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) -0.59 -1.02 -51.07 6 5 1 100 240.308 5
Hi High (pH 8-9.5) -0.59 -1.42 -14.79 5 5 0 98 239.3 5

Activity (Go SEA)

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