UCSF

ZINC37856052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.94 6.2 -176.69 5 4 3 46 262.462 12
Hi High (pH 8-9.5) 0.94 4.79 -75.08 4 4 2 41 261.454 12
Mid Mid (pH 6-8) 0.94 6.58 -96.41 4 4 2 49 261.454 12
Mid Mid (pH 6-8) 0.94 4 -102.08 4 4 2 45 261.454 12

Activity (Go SEA)

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