UCSF

ZINC13677461

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 3.97 5.98 -16.86 2 5 0 75 372.471 5
Hi High (pH 8-9.5) 3.97 6.07 -47.09 1 5 -1 77 371.463 5

Activity (Go SEA)

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