UCSF

ZINC09359688

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 26 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) 4.64 10.25 -52.36 0 4 -1 60 476.144 5
Mid Mid (pH 6-8) 4.06 -1.03 -18.21 0 4 0 54 477.152 5
Mid Mid (pH 6-8) 5.09 8.83 -26.12 1 4 0 58 477.152 4

Activity (Go SEA)

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