UCSF

ZINC37044702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.35 -1.63 -53.23 5 6 1 103 276.313 4
Hi High (pH 8-9.5) -0.35 -1.76 -53.75 3 6 -1 103 274.297 4
Mid Mid (pH 6-8) -0.35 -1.44 -75.56 4 6 0 105 275.305 4

Activity (Go SEA)

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