UCSF

ZINC33871661

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 35 No

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) 0.80 7.61 -31.57 4 8 0 135 472.497 6
Mid Mid (pH 6-8) 0.80 6 -54.04 3 8 -1 130 471.489 6
Mid Mid (pH 6-8) 0.80 6.5 -49 3 8 -1 130 471.489 6

Activity (Go SEA)

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