UCSF

ZINC42177116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 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) 2.58 2.64 -35.91 4 3 1 57 222.308 3
Hi High (pH 8-9.5) 2.58 3.55 -31.12 3 3 0 60 221.3 3

Activity (Go SEA)

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