UCSF

ZINC33608711

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 21 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) 1.69 3.74 -114.44 6 4 2 74 288.391 8
Hi High (pH 8-9.5) 1.69 3.35 -53.44 5 4 1 72 287.383 8

Activity (Go SEA)

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