UCSF

ZINC37825176

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.30 6.16 -90.75 4 4 2 52 259.438 8
Hi High (pH 8-9.5) 1.30 5.71 -37.44 3 4 1 51 258.43 8

Activity (Go SEA)

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