UCSF

ZINC12383977

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 4.63 11.39 -8.95 1 4 0 47 391.421 5
Lo Low (pH 4.5-6) 4.63 11.93 -33.32 2 4 1 48 392.429 5

Activity (Go SEA)

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