UCSF

ZINC41586427

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 3.15 10.51 -42.95 2 7 1 94 423.489 6
Hi High (pH 8-9.5) 3.15 8.85 -47.67 0 7 -1 96 421.473 6
Mid Mid (pH 6-8) 3.15 11.1 -28.67 1 7 0 97 422.481 6
Mid Mid (pH 6-8) 3.15 8.27 -13.35 1 7 0 93 422.481 6

Activity (Go SEA)

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