UCSF

ZINC34918976

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 3.88 11.83 -54.27 1 8 0 93 508.615 13
Lo Low (pH 4.5-6) 3.88 11.19 -46.64 2 8 1 90 509.623 13

Activity (Go SEA)

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