UCSF

ZINC35622802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 Yes

Other Names:

MFCD05664167

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) 1.81 6.3 -50.56 1 6 -1 87 241.23 2
Mid Mid (pH 6-8) 1.81 6.77 -66.4 2 6 0 88 242.238 2
Lo Low (pH 4.5-6) 1.81 6.56 -48.14 2 6 0 88 242.238 2

Activity (Go SEA)

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