UCSF

ZINC53541916

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.98 4.97 -51.21 2 5 1 66 282.389 5
Hi High (pH 8-9.5) 1.98 3.92 -11.71 1 5 0 62 281.381 5

Activity (Go SEA)

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