UCSF

ZINC01447037

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 28 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) 6.06 12.85 -9.82 0 4 0 36 392.886 7
Lo Low (pH 4.5-6) 6.06 13.51 -33.11 1 4 1 38 393.894 7

Activity (Go SEA)

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