UCSF

ZINC15781332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 33 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) 4.80 6.96 -15.1 1 7 0 93 490.578 6
Hi High (pH 8-9.5) 4.80 7.04 -52.18 0 7 -1 95 489.57 6

Activity (Go SEA)

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