UCSF

ZINC05773728

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 25 No

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) 2.91 7.17 -10.66 3 5 0 82 349.415 4
Hi High (pH 8-9.5) 3.42 6.12 -45.12 2 5 -1 79 348.407 4

Activity (Go SEA)

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