UCSF

ZINC40053633

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.63 6.85 -56.99 1 9 -1 136 437.428 10
Lo Low (pH 4.5-6) 2.63 6.1 -14.99 2 9 0 133 438.436 10

Activity (Go SEA)

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