UCSF

ZINC21808645

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 0.06 1.69 -55.97 4 4 1 74 257.379 5
Hi High (pH 8-9.5) 0.06 1.4 -9.05 3 4 0 72 256.371 5

Activity (Go SEA)

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