UCSF

ZINC37001307

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) 1.58 5.54 -93.09 5 4 2 61 259.438 8
Hi High (pH 8-9.5) 1.76 3.64 -51.92 4 4 1 67 258.43 8
Hi High (pH 8-9.5) 1.58 5.21 -37.53 4 4 1 60 258.43 8

Activity (Go SEA)

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