UCSF

ZINC41664102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.47 9.81 -20.74 0 8 0 95 468.465 4
Lo Low (pH 4.5-6) 3.47 12.67 -58.05 1 8 1 96 469.473 4
Lo Low (pH 4.5-6) 3.47 10.26 -49.96 1 8 1 96 469.473 4

Activity (Go SEA)

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