UCSF

ZINC11820487

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 29 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) 2.58 -0.35 -18.27 0 5 0 54 391.515 6
Lo Low (pH 4.5-6) 2.58 -0.26 -36.19 1 5 1 55 392.523 6

Activity (Go SEA)

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