UCSF

ZINC37814702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) -0.35 3.02 -44.88 3 4 1 57 201.29 6
Hi High (pH 8-9.5) -0.35 2.64 -8.92 2 4 0 56 200.282 6

Activity (Go SEA)

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