UCSF

ZINC28465251

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 31 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) 3.14 9.24 -15.11 2 6 0 92 432.398 5
Lo Low (pH 4.5-6) 3.77 7.87 -39.95 3 6 1 98 433.406 4

Activity (Go SEA)

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