UCSF

ZINC43969128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.88 3.79 -31.54 2 4 1 38 265.377 5
Hi High (pH 8-9.5) 1.88 2.71 -4.05 1 4 0 34 264.369 5
Lo Low (pH 4.5-6) 1.88 5.64 -107.76 3 4 2 40 266.385 5

Activity (Go SEA)

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