UCSF

ZINC37786735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.02 7.64 -34.23 2 5 1 44 297.467 10
Hi High (pH 8-9.5) 3.02 5.51 -4.34 1 5 0 42 296.459 10

Activity (Go SEA)

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