UCSF

ZINC34668372

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 2.62 6.79 -10.47 1 5 0 45 371.456 7
Mid Mid (pH 6-8) 2.62 9.01 -46.13 2 5 1 46 372.464 7

Activity (Go SEA)

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