UCSF

ZINC15935888

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 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) 1.72 8.27 -21.42 1 8 0 95 396.542 9
Hi High (pH 8-9.5) 1.91 7.06 -55.83 0 8 -1 101 395.534 9

Activity (Go SEA)

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