UCSF

ZINC38747900

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 26 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) 3.02 6.13 -48.99 0 7 -1 96 384.828 5
Lo Low (pH 4.5-6) 2.56 8.5 -46.48 2 7 1 95 386.844 5

Activity (Go SEA)

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