UCSF

ZINC33856468

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 35 No

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) 1.07 8.34 -46.21 2 9 -1 136 479.509 9
Mid Mid (pH 6-8) 1.07 9.12 -40.7 3 9 0 141 480.517 9
Lo Low (pH 4.5-6) 1.07 9.46 -33.49 3 9 0 141 480.517 9

Activity (Go SEA)

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