UCSF

ZINC34934158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 6.84 15.42 -54.64 0 5 -1 70 503.018 11
Lo Low (pH 4.5-6) 6.84 14.67 -11.72 1 5 0 67 504.026 11

Activity (Go SEA)

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