UCSF

ZINC37051615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.03 7.87 -106.01 3 4 2 39 266.433 7
Mid Mid (pH 6-8) 1.03 6.51 -34.57 2 4 1 34 265.425 7
Mid Mid (pH 6-8) 1.03 5.75 -41.1 2 4 1 38 265.425 7

Activity (Go SEA)

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