UCSF

ZINC36637541

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) 4.47 12.16 -51.99 1 6 1 56 440.589 7
Hi High (pH 8-9.5) 4.47 9.67 -11.31 0 6 0 55 439.581 7

Activity (Go SEA)

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