UCSF

ZINC36096234

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 2.78 8.06 -41.17 2 4 1 43 348.438 11
Hi High (pH 8-9.5) 2.78 5.86 -11.58 1 4 0 42 347.43 11

Activity (Go SEA)

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