UCSF

ZINC43231756

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) -1.16 1.11 -30.36 4 5 1 69 225.316 6
Hi High (pH 8-9.5) -1.16 -1.57 -7.86 3 5 0 67 224.308 6
Mid Mid (pH 6-8) -1.16 -1.3 -52.93 4 5 1 69 225.316 6
Lo Low (pH 4.5-6) -1.16 0.83 -107.76 5 5 2 70 226.324 6

Activity (Go SEA)

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