UCSF

ZINC37085275

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.57 3.91 -38.06 2 4 1 46 229.344 5
Hi High (pH 8-9.5) 1.57 5.18 -36.57 2 4 1 43 229.344 5
Lo Low (pH 4.5-6) 1.57 6.13 -100.74 3 4 2 47 230.352 5

Activity (Go SEA)

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