UCSF

ZINC42549264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 0.14 5.45 -46.4 2 4 1 57 208.285 6
Mid Mid (pH 6-8) 0.14 3.49 -10.4 1 4 0 56 207.277 6

Activity (Go SEA)

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