UCSF

ZINC16393966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 27 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) 5.22 7.69 -8.47 3 4 0 68 434.27 4
Lo Low (pH 4.5-6) 5.22 7.71 -30.06 4 4 1 69 435.278 4

Activity (Go SEA)

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