UCSF

ZINC25760751

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 25 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) -1.56 2.5 -242.14 2 13 -3 201 392.181 5
Mid Mid (pH 6-8) -1.56 1.63 -121.95 3 13 -2 198 393.189 5

Activity (Go SEA)

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