UCSF

ZINC08782345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 27 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) 4.18 -3.17 -11.67 3 5 0 80 394.887 3
Lo Low (pH 4.5-6) 4.18 -3.05 -40.43 4 5 1 82 395.895 3

Activity (Go SEA)

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