UCSF

ZINC34668492

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 3.70 11.74 -11.86 0 5 0 36 429.564 7
Mid Mid (pH 6-8) 3.70 13.97 -47.12 1 5 1 37 430.572 7

Activity (Go SEA)

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