UCSF

ZINC36988696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 2.45 6.31 -24.2 2 3 1 29 206.313 3
Hi High (pH 8-9.5) 2.45 5.96 -4.84 1 3 0 28 205.305 3

Activity (Go SEA)

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