UCSF

ZINC06753231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 3.56 6.57 -13.58 2 7 0 88 407.47 7
Hi High (pH 8-9.5) 3.56 7.37 -51.76 1 7 -1 91 406.462 7

Activity (Go SEA)

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