UCSF

ZINC36637033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) -0.29 2.65 -64.53 3 9 1 106 328.422 8
Hi High (pH 8-9.5) -0.29 0.18 -21.03 2 9 0 105 327.414 8

Activity (Go SEA)

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