UCSF

ZINC36768833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 2.81 4.46 -7.94 2 3 0 48 240.715 2
Mid Mid (pH 6-8) 2.30 4.7 -5.75 2 3 0 49 240.715 2
Lo Low (pH 4.5-6) 2.81 4.87 -28.68 3 3 1 49 241.723 2

Activity (Go SEA)

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