UCSF

ZINC69056035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 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) 3.11 7.88 -36.66 2 4 1 48 286.38 3
Mid Mid (pH 6-8) 3.11 7.48 -10.9 1 4 0 46 285.372 3

Activity (Go SEA)

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