UCSF

ZINC08845998

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 29 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) 2.02 -0.96 -18.23 1 10 0 132 418.346 9
Mid Mid (pH 6-8) 4.91 8.86 -11.78 1 3 0 42 427.414 5
Lo Low (pH 4.5-6) 2.02 -0.85 -48.3 2 10 1 133 419.354 9

Activity (Go SEA)

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