UCSF

ZINC37796827

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.11 5.91 -101.23 1 6 -2 109 253.254 6
Lo Low (pH 4.5-6) 0.11 3.92 -49.03 2 6 -1 107 254.262 6

Activity (Go SEA)

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