UCSF

ZINC43413659

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.13 2.92 -68.54 4 5 0 97 242.319 5
Hi High (pH 8-9.5) 0.13 2.6 -44.28 3 5 -1 95 241.311 5
Lo Low (pH 4.5-6) 0.13 0.94 -48.31 5 5 1 94 243.327 5

Activity (Go SEA)

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