UCSF

ZINC34628575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 2.93 7.08 -7.38 0 2 0 27 230.355 3
Lo Low (pH 4.5-6) 2.93 9.06 -42.76 1 2 1 28 231.363 3

Activity (Go SEA)

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