UCSF

ZINC29470506

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 27 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) 2.91 5.21 -51.51 5 6 1 89 390.891 5
Hi High (pH 8-9.5) 2.91 6 -70.92 4 6 0 92 389.883 5

Activity (Go SEA)

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