UCSF

ZINC33773454

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 3.75 9.27 -56.06 0 7 -1 82 463.554 10
Mid Mid (pH 6-8) 3.75 11.59 -69.08 1 7 0 83 464.562 10
Lo Low (pH 4.5-6) 3.75 10.3 -57.44 2 7 1 81 465.57 10

Activity (Go SEA)

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