UCSF

ZINC11754164

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2008 26 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) 1.02 -2.89 -16.14 1 6 0 75 372.494 6
Lo Low (pH 4.5-6) 1.02 -2.78 -47.42 2 6 1 76 373.502 6

Activity (Go SEA)

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