UCSF

ZINC08914807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 29 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) 1.22 -3.8 -55.03 4 8 1 103 398.487 4
Mid Mid (pH 6-8) 1.22 -3.58 -115.85 5 8 2 105 399.495 4

Activity (Go SEA)

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