UCSF

ZINC00954708

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 37 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) 4.70 13.77 -17.76 2 9 0 103 496.571 8
Lo Low (pH 4.5-6) 4.88 14.01 -40.28 3 9 1 108 497.579 8

Activity (Go SEA)

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