UCSF

ZINC36755013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.42 8.48 -49.51 2 4 1 50 272.372 6
Hi High (pH 8-9.5) 2.87 6.07 -55.74 1 4 0 53 271.364 6

Activity (Go SEA)

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