UCSF

ZINC34466057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 19 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) 2.78 9.1 -53.38 0 4 -1 47 257.313 3
Lo Low (pH 4.5-6) 2.78 10.02 -59.99 1 4 0 48 258.321 3
Lo Low (pH 4.5-6) 2.78 10.1 -63.57 1 4 0 48 258.321 3

Activity (Go SEA)

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