UCSF

ZINC09001624

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 33 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 -5.92 -22.14 2 9 0 123 464.503 7
Hi High (pH 8-9.5) 4.04 -5.5 -62.01 1 9 -1 125 463.495 7

Activity (Go SEA)

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