UCSF

ZINC36889035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.38 7.29 -49.49 1 4 0 48 284.306 5
Hi High (pH 8-9.5) 1.38 5.02 -48.33 0 4 -1 47 283.298 5

Activity (Go SEA)

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