UCSF

ZINC01033842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 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) 4.68 6.23 -20.28 4 6 0 90 365.364 4
Hi High (pH 8-9.5) 4.68 7.24 -67.21 3 6 -1 93 364.356 4

Activity (Go SEA)

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