UCSF

ZINC43247301

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) 0.91 1.3 -47.05 5 4 1 74 282.433 4
Hi High (pH 8-9.5) 0.91 1.11 -8.47 4 4 0 72 281.425 4
Lo Low (pH 4.5-6) 0.91 3.13 -116.29 6 4 2 75 283.441 4

Activity (Go SEA)

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