UCSF

ZINC31891931

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 No

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) 2.82 9.47 -59.3 1 5 0 63 319.401 7
Hi High (pH 8-9.5) 2.82 7.21 -54.49 0 5 -1 62 318.393 7

Activity (Go SEA)

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