UCSF

ZINC08845992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 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) 3.90 3.53 -13.19 0 6 0 72 442.446 5
Lo Low (pH 4.5-6) 3.90 3.68 -33.13 1 6 1 73 443.454 5

Activity (Go SEA)

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