UCSF

ZINC08740839

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 30 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) 4.68 10.1 -57.97 0 6 -1 86 435.506 5
Lo Low (pH 4.5-6) 4.68 9.35 -14.02 1 6 0 84 436.514 5

Activity (Go SEA)

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