UCSF

ZINC45698327

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.01 6.9 -93.61 4 4 2 50 271.449 8
Hi High (pH 8-9.5) 2.01 5.73 -39.01 3 4 1 46 270.441 8

Activity (Go SEA)

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