UCSF

ZINC36134939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 1.67 5.51 -41.41 3 3 1 48 253.341 5
Hi High (pH 8-9.5) 1.67 5.19 -4.96 2 3 0 46 252.333 5

Activity (Go SEA)

Rings

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