UCSF

ZINC37078755

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) -0.11 4.42 -34.15 3 3 1 40 209.313 5
Mid Mid (pH 6-8) -0.11 4.75 -126.18 4 3 2 41 210.321 5
Mid Mid (pH 6-8) -0.11 2.78 -41.7 3 3 1 40 209.313 5

Activity (Go SEA)

Rings

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