UCSF

ZINC37850980

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) 1.16 2.16 -44.41 3 5 1 59 303.467 12
Hi High (pH 8-9.5) 1.16 0.77 -5.66 2 5 0 54 302.459 12
Lo Low (pH 4.5-6) 1.16 4.44 -109.15 4 5 2 60 304.475 12

Activity (Go SEA)

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