UCSF

ZINC13077122

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 30 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) 4.04 9.83 -54.58 0 6 -1 90 488.383 8
Lo Low (pH 4.5-6) 4.04 10.11 -75.79 1 6 0 92 489.391 8

Activity (Go SEA)

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