UCSF

ZINC42572642

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 No

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) 3.61 9.06 -10.2 1 3 0 38 282.434 5
Mid Mid (pH 6-8) 4.07 7.89 -41.35 0 3 -1 41 281.426 5

Activity (Go SEA)

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