UCSF

ZINC36104432

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) 4.00 10.62 -37.56 2 3 1 34 342.503 10
Hi High (pH 8-9.5) 4.00 8.7 -5.15 1 3 0 33 341.495 10

Activity (Go SEA)

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