UCSF

ZINC36994331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.64 10.3 -55.52 2 2 1 40 283.42 5
Hi High (pH 8-9.5) 3.64 9.18 -6.78 1 2 0 36 282.412 5

Activity (Go SEA)

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