UCSF

ZINC36828868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) -0.70 0.79 -18.67 1 6 0 94 241.272 4
Hi High (pH 8-9.5) -0.24 -1.28 -50.27 0 6 -1 97 240.264 4

Activity (Go SEA)

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