UCSF

ZINC35807688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 1.83 6.22 -31.83 2 3 1 31 254.716 4
Hi High (pH 8-9.5) 1.83 5.75 -10.55 1 3 0 30 253.708 4
Mid Mid (pH 6-8) 1.83 7.15 -47.97 2 3 1 34 254.716 4
Mid Mid (pH 6-8) 1.83 7.6 -112.34 3 3 2 36 255.724 4

Activity (Go SEA)

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