UCSF

ZINC36096573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 1.97 5.28 -38.79 2 4 1 43 302.46 11
Hi High (pH 8-9.5) 1.97 3.13 -6.79 1 4 0 42 301.452 11

Activity (Go SEA)

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