UCSF

ZINC02886601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 27 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) 3.66 9.38 -13.4 1 5 0 53 367.424 4
Ref Reference (pH 7) 3.66 9.43 -13.65 1 5 0 53 367.424 4
Lo Low (pH 4.5-6) 3.66 10.05 -40.64 2 5 1 54 368.432 4
Lo Low (pH 4.5-6) 3.66 10.05 -40.6 2 5 1 54 368.432 4

Activity (Go SEA)

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