UCSF

ZINC54288126

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.49 7.31 -38.17 2 6 1 61 303.386 7
Hi High (pH 8-9.5) 1.49 4.86 -14.26 1 6 0 59 302.378 7

Activity (Go SEA)

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