UCSF

ZINC31963693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 2.58 6.45 -56.31 4 5 1 79 334.465 8
Hi High (pH 8-9.5) 2.77 5.31 -60.45 3 5 0 85 333.457 8

Activity (Go SEA)

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