UCSF

ZINC44510566

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 2.03 8.38 -56.84 0 5 -1 67 259.285 4
Mid Mid (pH 6-8) 2.03 8.87 -61.7 1 5 0 68 260.293 4

Activity (Go SEA)

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