UCSF

ZINC36933236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 1.25 -0.55 -6.91 2 5 0 54 278.352 4
Mid Mid (pH 6-8) 1.25 1 -42.24 3 5 1 59 279.36 4
Lo Low (pH 4.5-6) 1.25 1.87 -38.64 3 5 1 55 279.36 4

Activity (Go SEA)

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