UCSF

ZINC37078612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -0.16 4.55 -29.47 3 3 1 40 209.313 5
Hi High (pH 8-9.5) -0.16 2.87 -38.33 3 3 1 40 209.313 5
Mid Mid (pH 6-8) -0.16 4.88 -117.91 4 3 2 41 210.321 5

Activity (Go SEA)

Rings

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