UCSF

ZINC11820235

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 30 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) 3.61 9.85 -12.04 2 6 0 78 397.482 2
Lo Low (pH 4.5-6) 3.61 10.38 -41.88 3 6 1 79 398.49 2

Activity (Go SEA)

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