UCSF

ZINC95079812

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 12 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) -0.03 2.49 -36.97 3 4 0 71 174.244 3
Lo Low (pH 4.5-6) -0.03 0.78 -34.82 4 4 1 68 175.252 3

Activity (Go SEA)

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

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