UCSF

ZINC37041075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.03 -1.58 -52.26 7 6 1 112 237.283 4
Hi High (pH 8-9.5) -0.03 -1.91 -13.88 6 6 0 110 236.275 4

Activity (Go SEA)

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