UCSF

ZINC53157471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.78 3.94 -53.65 3 4 1 55 306.785 10
Hi High (pH 8-9.5) 1.78 2.53 -9.31 2 4 0 51 305.777 10

Activity (Go SEA)

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