UCSF

ZINC37184113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 3.26 6.74 -37.68 2 3 1 30 285.82 6
Hi High (pH 8-9.5) 3.26 4.27 -4.43 1 3 0 28 284.812 6
Lo Low (pH 4.5-6) 3.26 8 -112.13 3 3 2 34 286.828 6

Activity (Go SEA)

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