UCSF

ZINC34328160

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 12 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) 1.51 1.24 -5.92 2 3 0 41 167.208 3
Lo Low (pH 4.5-6) 1.51 1.78 -39.93 3 3 1 46 168.216 3

Activity (Go SEA)

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