UCSF

ZINC36156999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 3.04 4.7 -9.52 2 4 0 73 290.681 2
Hi High (pH 8-9.5) 3.04 5.48 -39.99 1 4 -1 76 289.673 2

Activity (Go SEA)

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