UCSF

ZINC31893525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 Yes

Other Names:

MFCD09027485

N/A

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) 1.46 6.12 -16.13 0 3 0 35 188.23 1
Lo Low (pH 4.5-6) 1.46 6.53 -34.56 1 3 1 36 189.238 1

Activity (Go SEA)

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