UCSF

ZINC36891027

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 2.63 9 -48.86 1 3 1 22 252.769 4
Hi High (pH 8-9.5) 2.63 6.52 -7.48 0 3 0 21 251.761 4
Lo Low (pH 4.5-6) 2.63 9.44 -93.54 2 3 2 24 253.777 4

Activity (Go SEA)

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