UCSF

ZINC33813998

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 33 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) 2.39 9.56 -48.99 0 9 -1 113 460.495 5
Lo Low (pH 4.5-6) 2.39 8.43 -24.58 1 9 0 110 461.503 5

Activity (Go SEA)

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