UCSF

ZINC41585911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

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) 3.45 8.28 -40.75 2 9 1 99 504.563 7
Hi High (pH 8-9.5) 3.45 8.83 -42.99 0 9 -1 100 502.547 7
Mid Mid (pH 6-8) 3.45 10.49 -118.03 3 9 2 100 505.571 7
Mid Mid (pH 6-8) 3.45 8.06 -12.29 1 9 0 98 503.555 7
Lo Low (pH 4.5-6) 3.45 10.26 -54.43 2 9 1 99 504.563 7

Activity (Go SEA)

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