UCSF

ZINC34575330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 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) 4.07 8.59 -13.84 1 6 0 70 431.488 8
Mid Mid (pH 6-8) 4.07 9.02 -43.08 2 6 1 71 432.496 8

Activity (Go SEA)

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