UCSF

ZINC04141062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 22 Yes

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) 2.83 5.56 -46.22 2 5 1 54 302.35 6
Hi High (pH 8-9.5) 2.83 4.18 -8.6 1 5 0 49 301.342 6

Activity (Go SEA)

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