UCSF

ZINC40972343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 35 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) 4.76 10.09 -55.11 5 8 1 116 495.673 8
Hi High (pH 8-9.5) 4.76 8.97 -16.9 4 8 0 111 494.665 8

Activity (Go SEA)

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