UCSF

ZINC38718471

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.04 8.85 -20.75 1 5 0 64 385.514 4
Hi High (pH 8-9.5) 4.04 8.88 -61.78 0 5 -1 66 384.506 4
Lo Low (pH 4.5-6) 4.04 9.29 -37.99 2 5 1 65 386.522 4

Activity (Go SEA)

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