UCSF

ZINC36805326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 13 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) 1.62 6 -34.19 1 2 1 17 217.745 3
Mid Mid (pH 6-8) 1.62 3.56 -5.73 0 2 0 16 216.737 3

Activity (Go SEA)

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