UCSF

ZINC28765331

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 21 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) -1.43 4.1 -121.2 4 6 0 102 293.298 5
Hi High (pH 8-9.5) -1.43 3.72 -69.54 3 6 -1 100 292.29 5

Activity (Go SEA)

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