UCSF

ZINC13427159

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 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) 3.60 8.89 -61.17 0 7 -1 82 475.565 10
Mid Mid (pH 6-8) 4.05 10.18 -58 2 7 1 81 477.581 9
Mid Mid (pH 6-8) 3.02 11.15 -58.41 1 7 1 77 477.581 10
Mid Mid (pH 6-8) 3.60 11.22 -74.69 1 7 0 83 476.573 10

Activity (Go SEA)

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