UCSF

ZINC34668647

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 3.18 8.99 -44.82 2 5 1 40 401.962 7
Mid Mid (pH 6-8) 3.18 11.2 -92.14 3 5 2 41 402.97 7

Activity (Go SEA)

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