UCSF

ZINC33846058

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 23 No

Other Names:

MFCD00059493

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) 4.31 8.48 -45.45 1 4 -1 65 301.325 2
Hi High (pH 8-9.5) 5.23 6.09 -43.11 1 4 -1 68 301.325 2

Activity (Go SEA)

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