UCSF

ZINC44651491

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 1.05 3.81 -40.9 2 4 1 40 242.387 5
Hi High (pH 8-9.5) 1.05 2.45 -6.66 1 4 0 36 241.379 5
Mid Mid (pH 6-8) 1.05 5.86 -95.02 3 4 2 41 243.395 5

Activity (Go SEA)

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