UCSF

ZINC31285899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 22 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) 2.39 4.44 -20.32 2 6 0 81 302.33 5
Hi High (pH 8-9.5) 2.39 5.47 -60.81 1 6 -1 83 301.322 5

Activity (Go SEA)

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