UCSF

ZINC01663844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 23 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) 5.25 11.22 -41.27 0 3 -1 57 311.401 5
Mid Mid (pH 6-8) 4.36 0.47 -9 0 3 0 51 312.409 5

Activity (Go SEA)

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