UCSF

ZINC34628970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 23 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) 2.80 6.47 -37.65 3 4 1 60 308.405 3
Mid Mid (pH 6-8) 2.80 6.11 -11.09 2 4 0 59 307.397 3

Activity (Go SEA)

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