UCSF

ZINC42873668

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.78 4.3 -106.15 4 5 2 60 268.357 7
Hi High (pH 8-9.5) 1.78 2.18 -45.42 3 5 1 59 267.349 7

Activity (Go SEA)

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