UCSF

ZINC55182967

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) 3.85 12.45 -72.57 2 5 0 74 362.514 12
Hi High (pH 8-9.5) 3.85 10.31 -47.64 1 5 -1 72 361.506 12

Activity (Go SEA)

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