UCSF

ZINC37323068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 3.43 10.27 -31.51 1 3 1 31 264.389 8
Hi High (pH 8-9.5) 3.43 8.18 -7.87 0 3 0 30 263.381 8

Activity (Go SEA)

Rings

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