UCSF

ZINC00205758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 4.92 8.84 -10.51 2 5 0 67 334.423 4
Lo Low (pH 4.5-6) 4.92 9.3 -31.08 3 5 1 68 335.431 4
Lo Low (pH 4.5-6) 4.92 9.75 -69.33 4 5 2 69 336.439 4

Activity (Go SEA)

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