UCSF

ZINC31161812

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 26 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) 1.62 -0.53 -16.66 4 7 0 124 384.812 0
Hi High (pH 8-9.5) 1.62 0.48 -50 3 7 -1 127 383.804 0
Mid Mid (pH 6-8) 1.62 0.14 -50.75 3 7 -1 127 383.804 0

Activity (Go SEA)

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