UCSF

ZINC62825255

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 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) 3.18 6.3 -125.97 0 6 -2 93 436.081 4
Lo Low (pH 4.5-6) 3.18 6.17 -44.99 1 6 -1 91 437.089 4

Activity (Go SEA)

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

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