UCSF

ZINC38980509

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 21 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) 3.51 9.92 -41.31 2 2 1 16 281.423 5
Hi High (pH 8-9.5) 3.51 7.85 -3.43 1 2 0 15 280.415 5
Lo Low (pH 4.5-6) 3.51 11.19 -129.63 3 2 2 21 282.431 5

Activity (Go SEA)

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