UCSF

ZINC36878838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.17 3.18 -49.31 3 3 1 40 239.314 3
Hi High (pH 8-9.5) -0.17 2.42 -4.15 2 3 0 38 238.306 3
Lo Low (pH 4.5-6) -0.17 5.11 -140.02 4 3 2 41 240.322 3

Activity (Go SEA)

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