UCSF

ZINC54127746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 19 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) 3.25 5.36 -40.99 2 4 1 51 415.171 6
Hi High (pH 8-9.5) 3.25 2.92 -7.18 1 4 0 49 414.163 6
Hi High (pH 8-9.5) 3.25 5 -33.79 1 4 0 53 414.163 6

Activity (Go SEA)

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