UCSF

ZINC14010471

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 16 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) 1.47 2.34 -17.29 3 4 0 69 254.698 1
Mid Mid (pH 6-8) 1.47 3 -50.32 2 4 -1 72 253.69 1

Activity (Go SEA)

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