UCSF

ZINC12781960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 0.89 6.57 -19.04 1 8 0 91 393.447 5
Hi High (pH 8-9.5) 1.34 5.41 -49.4 0 8 -1 95 392.439 5

Activity (Go SEA)

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