UCSF

ZINC37267597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 No

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) -0.01 3.25 -89.61 4 4 2 50 231.365 2
Mid Mid (pH 6-8) -0.01 1.88 -41.73 3 4 1 46 230.357 2

Activity (Go SEA)

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