UCSF

ZINC23361770

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 2.96 7.86 -31.06 1 7 0 92 408.549 7
Hi High (pH 8-9.5) 3.14 6.79 -61.6 0 7 -1 99 407.541 7

Activity (Go SEA)

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