UCSF

ZINC46121342

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 23 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) 2.46 4.29 -9.46 1 5 0 51 318.417 6
Mid Mid (pH 6-8) 2.46 6.56 -45.17 2 5 1 52 319.425 6

Activity (Go SEA)

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