UCSF

ZINC08720251

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 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) 4.04 -4.46 -57.36 3 7 1 88 460.62 9
Hi High (pH 8-9.5) 4.04 -3.88 -86.77 2 7 0 91 459.612 9

Activity (Go SEA)

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