UCSF

ZINC09454703

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 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) 2.03 6.17 -64.49 1 10 -1 145 455.443 11
Mid Mid (pH 6-8) 2.47 5.13 -37.69 2 10 0 142 456.451 10
Mid Mid (pH 6-8) 1.44 6.15 -31.15 1 10 0 139 456.451 11

Activity (Go SEA)

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