UCSF

ZINC31003658

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 27 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) 3.54 11.26 -49.93 2 6 1 68 365.457 7
Hi High (pH 8-9.5) 3.54 9.19 -20.99 1 6 0 67 364.449 7

Activity (Go SEA)

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