UCSF

ZINC37820618

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.30 2.26 -44.42 3 5 1 60 284.424 4
Hi High (pH 8-9.5) 0.30 1.93 -8.77 2 5 0 59 283.416 4
Mid Mid (pH 6-8) 0.30 4.42 -91.55 4 5 2 62 285.432 4

Activity (Go SEA)

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