UCSF

ZINC09531535

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 34 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) 5.41 14.2 -41.91 2 6 0 80 458.558 11
Hi High (pH 8-9.5) 5.41 12.84 -52.48 1 6 -1 76 457.55 11

Activity (Go SEA)

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