UCSF

ZINC19883271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 0.56 4.82 -54.54 0 9 -1 119 374.373 6
Mid Mid (pH 6-8) 0.56 7.16 -60.88 1 9 0 120 375.381 6

Activity (Go SEA)

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