UCSF

ZINC42456142

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.60 4.16 -82.92 4 3 2 35 215.385 7
Hi High (pH 8-9.5) 0.60 5.84 -96.58 4 3 2 35 215.385 7
Lo Low (pH 4.5-6) 0.60 6.24 -175.7 5 3 3 37 216.393 7

Activity (Go SEA)

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