UCSF

ZINC03448113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 33 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) 4.73 11.5 -18.63 2 7 0 97 458.543 9
Hi High (pH 8-9.5) 4.73 11.34 -47.61 1 7 -1 95 457.535 9

Activity (Go SEA)

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