UCSF

ZINC41536822

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.40 7.55 -54.65 1 5 -1 82 333.433 6
Lo Low (pH 4.5-6) 2.40 5.79 -18.09 2 5 0 79 334.441 6

Activity (Go SEA)

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