UCSF

ZINC62933115

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 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) 1.95 6.63 -52.23 0 5 -1 69 256.285 2
Mid Mid (pH 6-8) 1.95 7.23 -41.41 1 5 0 70 257.293 2

Activity (Go SEA)

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

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