UCSF

ZINC37995332

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 0.26 7.3 -41.78 2 6 0 90 309.391 5
Hi High (pH 8-9.5) 0.71 4.71 -59.7 1 6 -1 93 308.383 5
Hi High (pH 8-9.5) 0.26 5.56 -51.92 1 6 -1 89 308.383 5

Activity (Go SEA)

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