UCSF

ZINC37819432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -1.61 1.65 -48.3 2 7 1 64 284.384 2
Hi High (pH 8-9.5) -1.61 0.28 -13.16 1 7 0 59 283.376 2

Activity (Go SEA)

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