UCSF

ZINC50875497

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2010 30 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) -0.97 8.12 -88.74 5 9 -1 166 446.59 19
Hi High (pH 8-9.5) -0.97 7.81 -103.18 4 9 -2 164 445.582 19

Activity (Go SEA)

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