UCSF

ZINC31963742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 0.43 2.79 -58.32 4 6 1 88 306.367 4
Hi High (pH 8-9.5) 0.61 1.64 -60.21 3 6 0 94 305.359 4

Activity (Go SEA)

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