UCSF

ZINC36326066

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 0.60 3.82 -46.76 3 4 1 49 279.404 6
Hi High (pH 8-9.5) 0.60 3.09 -4.35 2 4 0 48 278.396 6
Lo Low (pH 4.5-6) 0.60 5.64 -133.26 4 4 2 51 280.412 6

Activity (Go SEA)

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