UCSF

ZINC44828218

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 2.99 7.89 -39.1 2 4 1 57 278.42 7
Hi High (pH 8-9.5) 2.85 6.99 -38.49 1 4 0 64 277.412 7

Activity (Go SEA)

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