UCSF

ZINC45751550

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 2.19 8.73 -35.3 1 3 1 22 242.774 5
Mid Mid (pH 6-8) 2.19 6.76 -3.84 0 3 0 21 241.766 5

Activity (Go SEA)

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