UCSF

ZINC30017649

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 18 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) 2.23 0.85 -39.9 1 5 -1 78 282.732 3
Lo Low (pH 4.5-6) 1.77 2.69 -7.51 2 5 0 75 283.74 3

Activity (Go SEA)

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