UCSF

ZINC34681872

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 2.75 9.24 -53.99 3 9 1 98 493.584 8
Mid Mid (pH 6-8) 2.75 9.56 -113.75 4 9 2 99 494.592 8

Activity (Go SEA)

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