UCSF

ZINC19690776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 34 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) 3.06 5.43 -57.56 3 8 1 100 509.718 12
Hi High (pH 8-9.5) 3.06 3.11 -19.07 2 8 0 99 508.71 12

Activity (Go SEA)

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