UCSF

ZINC19892767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 0.52 -0.27 -6.31 1 7 0 58 391.512 6
Mid Mid (pH 6-8) 0.52 2.07 -46.28 2 7 1 59 392.52 6

Activity (Go SEA)

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