UCSF

ZINC40143336

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 Yes

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) 4.65 10.21 -15.42 1 5 0 54 421.566 7
Lo Low (pH 4.5-6) 4.65 12.48 -54.18 2 5 1 56 422.574 7

Activity (Go SEA)

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