UCSF

ZINC20189608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 1.66 7.51 -64.25 0 7 -1 86 432.5 8
Mid Mid (pH 6-8) 1.66 9.86 -76.76 1 7 0 87 433.508 8

Activity (Go SEA)

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