UCSF

ZINC06368710

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 4.79 -2.46 -9.79 1 3 0 46 330.236 3
Hi High (pH 8-9.5) 4.79 -1.88 -43.63 0 3 -1 48 329.228 3

Activity (Go SEA)

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