UCSF

ZINC39874787

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 24 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) 3.99 8.99 -19.66 1 5 0 60 362.838 5
Hi High (pH 8-9.5) 4.17 7.05 -51.51 0 5 -1 67 361.83 5

Activity (Go SEA)

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