UCSF

ZINC42477563

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 0.60 4.42 -21.49 3 6 0 94 312.42 5
Mid Mid (pH 6-8) 1.33 4.31 -52.7 2 6 -1 91 311.412 5

Activity (Go SEA)

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