UCSF

ZINC42463077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.46 2.61 -38.2 3 4 1 51 254.398 3
Mid Mid (pH 6-8) 1.46 4.69 -89.84 4 4 2 52 255.406 3

Activity (Go SEA)

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