UCSF

ZINC12772999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 26 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) 2.79 6.79 -19.75 1 7 0 86 370.434 5
Hi High (pH 8-9.5) 2.79 6.86 -55.04 0 7 -1 88 369.426 5

Activity (Go SEA)

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