UCSF

ZINC45654772

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 2.51 8.21 -32.89 2 2 1 16 245.39 4
Hi High (pH 8-9.5) 2.51 5.75 -2.99 1 2 0 15 244.382 4
Lo Low (pH 4.5-6) 2.51 6.87 -42.91 2 2 1 20 245.39 4

Activity (Go SEA)

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