UCSF

ZINC37261129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 2.40 5.64 -8.68 1 5 0 48 295.77 6
Lo Low (pH 4.5-6) 2.40 5.81 -36.95 2 5 1 50 296.778 6

Activity (Go SEA)

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