UCSF

ZINC42559156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 16 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) 1.97 5.6 -26.28 2 3 1 38 221.324 5
Mid Mid (pH 6-8) 1.97 4.75 -6.23 1 3 0 36 220.316 5

Activity (Go SEA)

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