UCSF

ZINC09423319

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 30 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) 4.28 1.18 -51.93 1 5 1 56 419.888 3
Lo Low (pH 4.5-6) 4.28 1.24 -130.48 2 5 2 58 420.896 3

Activity (Go SEA)

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