UCSF

ZINC13365965

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 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) 3.75 6.87 -9.59 0 3 0 31 253.301 2
Lo Low (pH 4.5-6) 3.75 7.24 -28.88 1 3 1 33 254.309 2

Activity (Go SEA)

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