UCSF

ZINC34689294

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 17 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) 2.19 3.23 -44.52 3 3 1 40 243.415 6
Lo Low (pH 4.5-6) 2.19 5.05 -113.8 4 3 2 41 244.423 6

Activity (Go SEA)

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