UCSF

ZINC09065343

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 35 No

Download: MOL2 SDF SMILES Flexibase

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) 2.99 6.73 -58.73 0 8 -1 91 477.537 10
Mid Mid (pH 6-8) 3.43 9.11 -45.4 2 8 1 90 479.553 9
Mid Mid (pH 6-8) 2.99 9.08 -69.96 1 8 0 93 478.545 10

Activity (Go SEA)

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