UCSF

ZINC44292968

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 21 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) 3.09 9.58 -44.49 2 4 1 37 290.431 3
Hi High (pH 8-9.5) 3.09 7.12 -8 1 4 0 36 289.423 3

Activity (Go SEA)

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