UCSF

ZINC37004799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 2.14 6.21 -10.24 1 4 0 45 255.749 6
Mid Mid (pH 6-8) 2.14 6.58 -33.25 2 4 1 46 256.757 6

Activity (Go SEA)

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