UCSF

ZINC41573158

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 1.61 5.11 -40.85 2 5 1 46 312.478 8
Lo Low (pH 4.5-6) 1.61 7.37 -80.13 3 5 2 47 313.486 8

Activity (Go SEA)

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