UCSF

ZINC21806756

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 5.37 7.49 -31.61 1 2 -1 35 360.058 3
Mid Mid (pH 6-8) 5.37 6.83 -4.43 2 2 0 32 361.066 3

Activity (Go SEA)

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