UCSF

ZINC30545887

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 29 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) 2.89 9.03 -52.51 2 6 1 66 395.479 10
Hi High (pH 8-9.5) 2.89 7.55 -12.15 1 6 0 62 394.471 10
Lo Low (pH 4.5-6) 2.89 9.47 -109.67 3 6 2 68 396.487 10

Activity (Go SEA)

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