UCSF

ZINC45687342

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.62 8.24 -98.41 3 3 2 24 265.445 9
Hi High (pH 8-9.5) 2.62 6.31 -35.22 2 3 1 20 264.437 9
Hi High (pH 8-9.5) 2.62 7.18 -36.49 2 3 1 20 264.437 9
Hi High (pH 8-9.5) 2.62 5.76 -35.62 2 3 1 23 264.437 9
Lo Low (pH 4.5-6) 2.62 9.93 -226.55 4 3 3 25 266.453 9

Activity (Go SEA)

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