UCSF

ZINC01291006

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) 5.44 9.64 -17.53 2 5 0 75 427.595 6
Mid Mid (pH 6-8) 5.90 8.41 -48.97 1 5 -1 78 426.587 6

Activity (Go SEA)

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