UCSF

ZINC44292759

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 23 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) 3.55 9.3 -37.32 3 4 1 46 312.437 7
Hi High (pH 8-9.5) 3.55 6.84 -9.96 2 4 0 44 311.429 7

Activity (Go SEA)

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