UCSF

ZINC37856991

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.95 4.13 -40.8 3 4 1 46 295.378 6
Lo Low (pH 4.5-6) 1.95 5.18 -119.44 4 4 2 51 296.386 6

Activity (Go SEA)

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