UCSF

ZINC06524444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 22 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) 1.62 -4.13 -12.27 5 7 0 131 302.238 1
Hi High (pH 8-9.5) 1.62 -3.33 -56.05 4 7 -1 134 301.23 1

Activity (Go SEA)

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