UCSF

ZINC46043527

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 1.80 5.36 -8.57 1 5 0 53 317.433 4
Mid Mid (pH 6-8) 1.80 7.52 -42.41 2 5 1 54 318.441 4

Activity (Go SEA)

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