UCSF

ZINC41586500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 2.65 9.17 -48.93 2 7 1 94 409.462 6
Hi High (pH 8-9.5) 2.65 7.73 -42.96 0 7 -1 96 407.446 6
Mid Mid (pH 6-8) 2.65 9.93 -30.71 1 7 0 97 408.454 6
Mid Mid (pH 6-8) 2.65 6.95 -11.1 1 7 0 93 408.454 6
Lo Low (pH 4.5-6) 2.65 9.64 -105.02 3 7 2 95 410.47 6

Activity (Go SEA)

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