UCSF

ZINC35499562

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.95 10.94 -6.08 0 4 0 21 407.533 9
Mid Mid (pH 6-8) 3.95 11.66 -42.74 1 4 1 22 408.541 9
Lo Low (pH 4.5-6) 3.95 13.21 -42.26 1 4 1 22 408.541 9

Activity (Go SEA)

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