UCSF

ZINC21774138

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 3.10 7.43 -12.52 1 4 0 55 310.328 5
Lo Low (pH 4.5-6) 3.10 7.8 -39.68 2 4 1 56 311.336 5

Activity (Go SEA)

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