UCSF

ZINC31894640

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 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) 1.52 2.2 -53.34 3 2 1 41 201.221 1
Hi High (pH 8-9.5) 1.52 1.8 -4.94 2 2 0 39 200.213 1

Activity (Go SEA)

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