UCSF

ZINC37839367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 No

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) 0.01 4.03 -20.69 1 5 0 66 254.208 6
Hi High (pH 8-9.5) 0.76 2.91 -55.68 1 5 -1 72 253.2 5

Activity (Go SEA)

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