UCSF

ZINC36828960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) -0.47 -2.85 -16.37 3 7 0 113 271.298 3
Hi High (pH 8-9.5) -0.01 -4.33 -53.12 2 7 -1 116 270.29 3

Activity (Go SEA)

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