UCSF

ZINC44978438

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 22 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) 1.99 3 -43.43 2 6 -1 101 306.227 2
Mid Mid (pH 6-8) 1.53 4.81 -13.5 3 6 0 98 307.235 2

Activity (Go SEA)

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

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