UCSF

ZINC49089358

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 21 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) -2.97 -6.79 -148.13 3 12 -2 190 323.154 4
Mid Mid (pH 6-8) -2.97 -7.94 -55.55 4 12 -1 187 324.162 4

Activity (Go SEA)

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