UCSF

ZINC37503041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 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) 1.55 0.28 -13.17 4 5 0 92 256.689 5
Hi High (pH 8-9.5) 1.55 1.28 -52.06 3 5 -1 95 255.681 5

Activity (Go SEA)

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