UCSF

ZINC15349120

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 34 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) 3.23 9.93 -28.71 1 8 0 93 476.558 6
Hi High (pH 8-9.5) 3.23 10.1 -71.82 0 8 -1 95 475.55 6

Activity (Go SEA)

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