UCSF

ZINC42338411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 1.32 8.2 -44.99 1 4 0 58 238.312 2
Mid Mid (pH 6-8) 1.32 7.73 -47.25 0 4 -1 56 237.304 2

Activity (Go SEA)

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