UCSF

ZINC35340509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 19 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) 2.27 5.33 -41.42 4 4 1 55 259.377 6
Hi High (pH 8-9.5) 2.27 3.18 -5.86 3 4 0 54 258.369 6
Mid Mid (pH 6-8) 2.27 5.79 -79.65 5 4 2 57 260.385 6

Activity (Go SEA)

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