UCSF

ZINC41722675

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 0.26 7.02 -41.95 3 4 1 58 285.415 2
Hi High (pH 8-9.5) 0.26 6.71 -8.81 2 4 0 57 284.407 2

Activity (Go SEA)

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