UCSF

ZINC37850978

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) 1.68 2.44 -44.48 3 5 1 59 303.467 13
Hi High (pH 8-9.5) 1.68 1.05 -5.69 2 5 0 54 302.459 13
Lo Low (pH 4.5-6) 1.68 4.71 -109.2 4 5 2 60 304.475 13

Activity (Go SEA)

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