UCSF

ZINC20206553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 Yes

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) 4.33 9.72 -11.26 1 4 0 41 387.458 4
Mid Mid (pH 6-8) 4.33 10.11 -41.73 2 4 1 42 388.466 4

Activity (Go SEA)

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