UCSF

ZINC34976286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.86 8.38 -9.4 2 4 0 57 246.358 4
Lo Low (pH 4.5-6) 2.86 8.81 -24.66 3 4 1 58 247.366 4

Activity (Go SEA)

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