UCSF

ZINC31911592

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 16 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) 1.08 6.76 -106.47 4 3 2 46 219.332 3
Hi High (pH 8-9.5) 1.08 5.98 -8.82 2 3 0 43 217.316 3
Mid Mid (pH 6-8) 1.08 6.32 -52.19 3 3 1 45 218.324 3

Activity (Go SEA)

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