UCSF

ZINC53421768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.12 4.99 -11.86 1 5 0 45 311.813 5
Lo Low (pH 4.5-6) 3.12 7.19 -46.26 2 5 1 46 312.821 5

Activity (Go SEA)

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