UCSF

ZINC31910270

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.63 9 -38.56 3 4 1 48 287.431 3
Hi High (pH 8-9.5) 3.63 7.43 -9.93 2 4 0 47 286.423 3
Mid Mid (pH 6-8) 3.63 9.4 -83.15 4 4 2 49 288.439 3

Activity (Go SEA)

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