UCSF

ZINC03950766

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 33 No

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) 0.33 7.98 -22.54 2 15 0 185 491.394 17
Lo Low (pH 4.5-6) 0.33 8.28 -39.91 3 15 1 187 492.402 17
Lo Low (pH 4.5-6) 0.33 3.82 -39.74 3 15 1 187 492.402 17

Activity (Go SEA)

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