UCSF

ZINC34685583

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.46 12.34 -23.28 0 6 0 53 475.633 7
Mid Mid (pH 6-8) 4.46 14.57 -61.26 1 6 1 54 476.641 7

Activity (Go SEA)

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