UCSF

ZINC04255125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 26 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) 4.91 -0.85 -14.99 1 4 0 54 361.47 3
Lo Low (pH 4.5-6) 4.91 -0.8 -42.06 2 4 1 56 362.478 3

Activity (Go SEA)

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