UCSF

ZINC06329709

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2006 15 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) 2.81 4.44 -3.12 1 2 0 29 241.571 2
Hi High (pH 8-9.5) 3.00 2.8 -32.13 0 2 -1 35 240.563 2

Activity (Go SEA)

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