UCSF

ZINC43231619

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) -0.76 -0.4 -63.13 5 6 1 92 266.369 6
Hi High (pH 8-9.5) -0.76 0.99 -34.66 5 6 1 91 266.369 6
Lo Low (pH 4.5-6) -0.76 0.92 -121.58 6 6 2 93 267.377 6

Activity (Go SEA)

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