UCSF

ZINC37328325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.62 7.86 -28.37 3 2 1 30 275.441 6
Hi High (pH 8-9.5) 2.62 6.36 -2.59 2 2 0 29 274.433 6
Mid Mid (pH 6-8) 2.62 6.71 -46.51 3 2 1 31 275.441 6

Activity (Go SEA)

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