UCSF

ZINC34682577

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 25 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) 4.36 12.02 -50.66 1 3 1 25 361.506 5
Hi High (pH 8-9.5) 4.36 9.89 -9.16 0 3 0 24 360.498 5

Activity (Go SEA)

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