UCSF

ZINC36637524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 2.93 9.01 -56.6 1 8 1 75 446.549 9
Hi High (pH 8-9.5) 2.93 6.53 -12.76 0 8 0 73 445.541 9

Activity (Go SEA)

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