UCSF

ZINC36360653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 22 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) 3.27 7.5 -8.88 1 4 0 50 329.812 2
Lo Low (pH 4.5-6) 3.08 10.61 -44.31 2 4 1 48 330.82 2

Activity (Go SEA)

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