UCSF

ZINC02647489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 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) 3.40 9.5 -57.9 1 5 -1 82 351.407 6
Lo Low (pH 4.5-6) 3.40 7.52 -16.66 2 5 0 79 352.415 6

Activity (Go SEA)

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