UCSF

ZINC44708731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 27 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) 1.17 6.68 -14.67 1 7 0 69 373.501 6
Lo Low (pH 4.5-6) 1.17 7.17 -41.2 2 7 1 70 374.509 6

Activity (Go SEA)

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