UCSF

ZINC34527096

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 6.14 14.52 -53.76 0 6 -1 85 473.973 13
Lo Low (pH 4.5-6) 6.14 12.54 -13.04 1 6 0 82 474.981 13

Activity (Go SEA)

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