UCSF

ZINC36288786

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 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) 0.53 -0.75 -13.76 5 7 0 120 308.363 4
Hi High (pH 8-9.5) 0.53 -0.73 -48.89 4 7 -1 122 307.355 4

Activity (Go SEA)

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