UCSF

ZINC35765718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 16 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) 1.93 4.64 -97.76 4 3 2 41 230.396 7
Hi High (pH 8-9.5) 1.93 5.17 -37 3 3 1 44 229.388 7
Hi High (pH 8-9.5) 1.93 3.42 -31.19 3 3 1 37 229.388 7

Activity (Go SEA)

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