UCSF

ZINC21509950

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 1.06 3.81 -43.73 2 5 1 54 304.48 5
Mid Mid (pH 6-8) 1.06 2.63 -48.59 2 5 1 57 304.48 5
Lo Low (pH 4.5-6) 1.06 4.98 -116.45 3 5 2 58 305.488 5

Activity (Go SEA)

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