UCSF

ZINC38476089

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 16 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) 1.88 3.92 -8.3 3 4 0 68 210.24 1
Lo Low (pH 4.5-6) 1.88 4.38 -38.16 4 4 1 69 211.248 1

Activity (Go SEA)

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