UCSF

ZINC36945560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.53 10.38 -47.91 2 2 1 40 330.249 4
Hi High (pH 8-9.5) 4.53 9.53 -5.87 1 2 0 36 329.241 4

Activity (Go SEA)

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