UCSF

ZINC27912721

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 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) 3.90 8.82 -22.62 1 6 0 78 376.478 7
Hi High (pH 8-9.5) 4.09 7.75 -40.4 0 6 -1 84 375.47 7

Activity (Go SEA)

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