UCSF

ZINC41664630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.84 9.27 -14.06 0 5 0 56 384.435 3
Lo Low (pH 4.5-6) 3.84 12.12 -50.61 1 5 1 57 385.443 3
Lo Low (pH 4.5-6) 3.84 9.73 -44.26 1 5 1 57 385.443 3

Activity (Go SEA)

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