UCSF

ZINC40099644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 33 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) 4.69 11.42 -59.49 0 7 -1 96 448.495 11
Lo Low (pH 4.5-6) 4.69 10.67 -16.3 1 7 0 93 449.503 11

Activity (Go SEA)

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