UCSF

ZINC13723498

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 25 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) 3.15 9.63 -23.34 2 6 0 79 354.797 3
Hi High (pH 8-9.5) 3.15 9.17 -51.49 1 6 -1 78 353.789 3

Activity (Go SEA)

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