UCSF

ZINC31773404

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 16 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) 0.33 1.17 -41.68 3 5 0 86 225.244 6
Hi High (pH 8-9.5) 0.33 -0.07 -59.29 2 5 -1 82 224.236 6

Activity (Go SEA)

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