UCSF

ZINC39847571

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 36 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.27 10.48 -75.39 1 8 0 93 490.556 9
Lo Low (pH 4.5-6) 3.27 9.71 -56.6 2 8 1 90 491.564 9

Activity (Go SEA)

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