UCSF

ZINC36642984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 3.02 8.12 -60.4 1 7 1 65 388.517 6
Hi High (pH 8-9.5) 3.02 5.46 -21.52 0 7 0 63 387.509 6

Activity (Go SEA)

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