UCSF

ZINC06095504

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 20 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) 2.68 2.2 -13.12 3 5 0 91 270.24 1
Hi High (pH 8-9.5) 2.68 3.19 -58.97 2 5 -1 94 269.232 1

Activity (Go SEA)

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