UCSF

ZINC23653271

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 23 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) 1.74 4.86 -13.38 1 6 0 75 335.429 3
Lo Low (pH 4.5-6) 1.74 6.8 -58.34 2 6 1 76 336.437 3

Activity (Go SEA)

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