UCSF

ZINC33087327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 4.58 9.06 -33.01 2 2 1 25 288.436 3
Hi High (pH 8-9.5) 4.58 9.46 -24.19 1 2 0 27 287.428 3

Activity (Go SEA)

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