UCSF

ZINC41065233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 21 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) 2.94 4.17 -9.5 2 4 0 61 303.745 1
Hi High (pH 8-9.5) 2.94 5.07 -49.61 1 4 -1 64 302.737 1

Activity (Go SEA)

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