UCSF

ZINC46526357

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 26 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) 1.86 6.67 -62.66 4 6 1 100 369.47 6
Mid Mid (pH 6-8) 1.86 4.44 -16.53 3 6 0 99 368.462 6

Activity (Go SEA)

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