UCSF

ZINC40101995

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 6.57 12.55 -54.14 0 5 -1 70 475.392 10
Lo Low (pH 4.5-6) 6.57 11.79 -11.26 1 5 0 67 476.4 10

Activity (Go SEA)

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