UCSF

ZINC08506310

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2006 25 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) 2.94 9.45 -21.64 1 7 0 87 343.383 7
Lo Low (pH 4.5-6) 2.94 10.23 -119.61 2 7 0 89 344.391 7

Activity (Go SEA)

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