UCSF

ZINC41664306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 3.62 8.04 -19.07 0 9 0 95 504.539 6
Mid Mid (pH 6-8) 3.62 10.3 -54.2 1 9 1 96 505.547 6
Lo Low (pH 4.5-6) 3.62 10.88 -54.17 1 9 1 96 505.547 6

Activity (Go SEA)

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