UCSF

ZINC37116432

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.24 4.53 -118.76 3 3 2 34 181.283 5
Hi High (pH 8-9.5) 0.24 0.74 -3.92 1 3 0 28 179.267 5
Hi High (pH 8-9.5) 0.24 3.08 -39.99 2 3 1 29 180.275 5
Mid Mid (pH 6-8) 0.24 2.19 -41.64 2 3 1 33 180.275 5
Lo Low (pH 4.5-6) 0.24 2.65 -81.53 3 3 2 34 181.283 5

Activity (Go SEA)

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