UCSF

ZINC53135022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.29 6.41 -44.8 3 3 1 50 322.226 5
Hi High (pH 8-9.5) 2.29 6.12 -5.81 2 3 0 48 321.218 5
Lo Low (pH 4.5-6) 2.29 6.87 -101.24 4 3 2 51 323.234 5

Activity (Go SEA)

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