UCSF

ZINC40476725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 29 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) 3.16 6.95 -66.7 3 6 0 91 416.543 13
Hi High (pH 8-9.5) 3.16 5.61 -41.35 2 6 -1 86 415.535 13

Activity (Go SEA)

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