UCSF

ZINC39914537

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 4.72 5.97 -11.36 3 7 0 99 504.768 5
Hi High (pH 8-9.5) 4.53 4.72 -48.56 1 7 -1 98 503.76 5
Mid Mid (pH 6-8) 4.72 6.73 -47.8 2 7 -1 102 503.76 5

Activity (Go SEA)

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