UCSF

ZINC39715104

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 22 No

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) 3.45 7.03 -14.32 1 4 0 55 312.756 2
Hi High (pH 8-9.5) 3.45 7.81 -42.23 0 4 -1 58 311.748 2

Activity (Go SEA)

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