UCSF

ZINC45625593

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 No

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) 2.17 8.7 -42.03 1 6 1 71 357.228 3
Mid Mid (pH 6-8) 2.17 6.56 -7.32 0 6 0 69 356.22 3

Activity (Go SEA)

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