UCSF

ZINC37078726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.27 5.34 -34.06 3 3 1 40 223.34 6
Mid Mid (pH 6-8) 0.27 5.68 -126.23 4 3 2 41 224.348 6
Mid Mid (pH 6-8) 0.27 3.7 -41.58 3 3 1 40 223.34 6

Activity (Go SEA)

Rings

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