UCSF

ZINC36637133

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) 2.01 7.03 -61.17 3 10 1 115 448.573 12
Hi High (pH 8-9.5) 2.01 4.91 -20.74 2 10 0 114 447.565 12

Activity (Go SEA)

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