UCSF

ZINC12508101

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 29 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) 3.78 6.07 -20 3 7 0 104 409.467 6
Hi High (pH 8-9.5) 3.78 6.13 -58.39 2 7 -1 106 408.459 6

Activity (Go SEA)

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