UCSF

ZINC30899135

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 22 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) 1.10 5.99 -51.76 3 5 1 63 306.43 9
Hi High (pH 8-9.5) 1.10 3.9 -15.92 2 5 0 61 305.422 9

Activity (Go SEA)

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