UCSF

ZINC37098127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.96 4.41 -40.69 3 2 1 31 201.378 8
Mid Mid (pH 6-8) 2.96 5.96 -26.85 3 2 1 30 201.378 8
Mid Mid (pH 6-8) 2.96 6.12 -109.87 4 2 2 32 202.386 8

Activity (Go SEA)

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