UCSF

ZINC37116152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 No

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) 4.17 10.05 -10.95 1 3 0 38 357.287 1
Hi High (pH 8-9.5) 4.62 8.87 -37.62 0 3 -1 41 356.279 1

Activity (Go SEA)

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