UCSF

ZINC36360225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 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) 1.34 1.27 -10.44 2 6 0 84 283.287 2
Ref Reference (pH 7) 1.15 4.03 -13.56 2 6 0 80 283.287 2
Hi High (pH 8-9.5) 1.52 -1.63 -50.88 1 6 -1 90 282.279 2

Activity (Go SEA)

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