UCSF

ZINC37801060

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.82 4.97 -46.23 3 5 1 66 293.387 6
Hi High (pH 8-9.5) 1.82 4.66 -8.89 2 5 0 65 292.379 6

Activity (Go SEA)

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