UCSF

ZINC06095016

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 20 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) 5.06 10.25 -11.52 0 1 0 13 253.304 0
Lo Low (pH 4.5-6) 5.06 10.63 -29.14 1 1 1 14 254.312 0

Activity (Go SEA)

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