UCSF

ZINC37795510

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.62 8.85 -71.16 2 5 0 74 288.347 5
Lo Low (pH 4.5-6) 1.62 7.43 -45.51 3 5 1 71 289.355 5

Activity (Go SEA)

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