UCSF

ZINC34685216

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 2.76 8.91 -38.74 2 6 1 53 428.626 7
Mid Mid (pH 6-8) 2.76 8.92 -85.1 3 6 2 54 429.634 7

Activity (Go SEA)

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