UCSF

ZINC41199376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 3.08 8.4 -29.13 2 2 1 29 285.436 3
Hi High (pH 8-9.5) 3.08 7.36 -6.19 1 2 0 25 284.428 3
Lo Low (pH 4.5-6) 3.08 8.83 -88.98 3 2 2 31 286.444 3

Activity (Go SEA)

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