UCSF

ZINC42411079

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 1.41 4.46 -48.82 2 3 1 37 225.337 2
Mid Mid (pH 6-8) 1.41 3.16 -7.6 1 3 0 32 224.329 2

Activity (Go SEA)

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