UCSF

ZINC34526958

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 4.25 6.83 -11.19 2 6 0 80 369.446 6
Hi High (pH 8-9.5) 4.25 6.76 -44.42 1 6 -1 82 368.438 6

Activity (Go SEA)

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