UCSF

ZINC36673556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 2.79 5.64 -41.2 2 3 1 35 236.335 4
Hi High (pH 8-9.5) 2.79 4.35 -3.99 1 3 0 30 235.327 4

Activity (Go SEA)

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