UCSF

ZINC06292615

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 26 No

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) 2.22 11.8 -117.88 0 6 -2 102 389.454 7
Lo Low (pH 4.5-6) 2.22 9.97 -57 1 6 -1 99 390.462 7

Activity (Go SEA)

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