UCSF

ZINC16585442

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.38 8.64 -12.55 1 6 0 75 385.489 8
Mid Mid (pH 6-8) 3.38 10.89 -56.91 2 6 1 76 386.497 8

Activity (Go SEA)

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