UCSF

ZINC37789080

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.34 5.21 -41.05 2 6 1 63 292.359 6
Hi High (pH 8-9.5) 1.34 2.68 -11.81 1 6 0 62 291.351 6

Activity (Go SEA)

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