UCSF

ZINC35347272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 17 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) 2.84 4.43 -47.48 2 4 1 56 273.143 4
Hi High (pH 8-9.5) 2.84 2.99 -6.65 1 4 0 51 272.135 4

Activity (Go SEA)

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