UCSF

ZINC20140614

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 16 Yes

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) 1.05 5.18 -36.46 2 3 1 29 220.34 4
Mid Mid (pH 6-8) 1.06 4.22 -44.09 2 3 1 33 220.34 4

Activity (Go SEA)

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