UCSF

ZINC09124156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 31 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) 1.99 6.68 -61.21 0 8 -1 97 426.445 9
Mid Mid (pH 6-8) 1.41 6.73 -21.51 0 8 0 91 427.453 9
Mid Mid (pH 6-8) 2.44 5.74 -28.17 1 8 0 95 427.453 8

Activity (Go SEA)

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