UCSF

ZINC38061595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 13 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) -1.11 2.22 -48.87 2 5 0 75 189.211 5
Hi High (pH 8-9.5) -1.11 0.82 -44.69 1 5 -1 71 188.203 5

Activity (Go SEA)

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