UCSF

ZINC39050968

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 No

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) 0.90 3.5 -37.71 3 3 1 51 136.178 2
Mid Mid (pH 6-8) 0.78 4.32 -8.13 3 3 0 53 136.178 1
Mid Mid (pH 6-8) 0.78 2.96 -9.01 2 3 0 51 135.17 1

Activity (Go SEA)

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