UCSF

ZINC37715711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 17 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) 2.52 4.19 -10.98 1 3 0 46 225.247 2
Lo Low (pH 4.5-6) 2.52 4.65 -39.12 2 3 1 48 226.255 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.