UCSF

ZINC44687184

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.96 5.43 -32.95 2 3 1 20 292.369 5
Hi High (pH 8-9.5) 1.96 2.95 -3.47 1 3 0 19 291.361 5
Hi High (pH 8-9.5) 1.96 3.94 -41.69 2 3 1 23 292.369 5
Mid Mid (pH 6-8) 1.96 7.54 -84 3 3 2 21 293.377 5

Activity (Go SEA)

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