UCSF

ZINC00915063

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 29 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) 2.33 8.4 -13.15 2 9 0 103 392.419 5
Lo Low (pH 4.5-6) 2.51 8.75 -38.95 3 9 1 108 393.427 5

Activity (Go SEA)

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