UCSF

ZINC00791372

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 30 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) 2.71 8.87 -16.79 2 9 0 103 406.446 6
Lo Low (pH 4.5-6) 2.88 9.24 -38.32 3 9 1 108 407.454 6

Activity (Go SEA)

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