UCSF

ZINC34560434

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.25 5.56 -11.29 2 6 0 84 276.683 2
Mid Mid (pH 6-8) 1.71 4.17 -33.92 1 6 -1 87 275.675 2

Activity (Go SEA)

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