UCSF

ZINC34989066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 1.00 5.13 -12.61 0 4 0 41 282.29 3
Lo Low (pH 4.5-6) 1.00 7.33 -55 1 4 1 42 283.298 3

Activity (Go SEA)

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