UCSF

ZINC37850988

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) 1.25 2.18 -44.37 3 5 1 59 303.467 11
Hi High (pH 8-9.5) 1.25 0.79 -5.5 2 5 0 54 302.459 11
Lo Low (pH 4.5-6) 1.25 4.44 -109.36 4 5 2 60 304.475 11

Activity (Go SEA)

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