UCSF

ZINC14984953

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 11 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) 3.04 1.43 -41.35 0 2 -1 36 229.078 0
Mid Mid (pH 6-8) 2.58 3.38 -6.23 1 2 0 33 230.086 0

Activity (Go SEA)

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