UCSF

ZINC41664303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 3.89 8.82 -19.61 0 9 0 95 518.566 7
Mid Mid (pH 6-8) 3.89 11.64 -54.81 1 9 1 96 519.574 7
Mid Mid (pH 6-8) 3.89 11.09 -54.16 1 9 1 96 519.574 7
Lo Low (pH 4.5-6) 3.89 13.93 -125.63 2 9 2 97 520.582 7

Activity (Go SEA)

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