UCSF

ZINC35037066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.92 7.25 -41.21 1 4 1 34 311.833 6
Mid Mid (pH 6-8) 2.92 4.97 -10.02 0 4 0 33 310.825 6
Mid Mid (pH 6-8) 2.92 7.17 -46.1 1 4 1 34 311.833 6

Activity (Go SEA)

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