UCSF

ZINC34668404

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 4.01 10.72 -10.17 1 4 0 36 403.501 6
Mid Mid (pH 6-8) 4.01 12.92 -39.71 2 4 1 37 404.509 6

Activity (Go SEA)

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