UCSF

ZINC31891665

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 3.32 8.48 -54.42 1 4 0 54 265.353 7
Hi High (pH 8-9.5) 3.32 6.44 -61.47 0 4 -1 53 264.345 7

Activity (Go SEA)

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