UCSF

ZINC41536241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.50 6.67 -48.99 2 6 1 73 300.404 7
Hi High (pH 8-9.5) 1.50 4.2 -9.29 1 6 0 72 299.396 7
Mid Mid (pH 6-8) 1.69 5.21 -45.75 1 6 0 79 299.396 7

Activity (Go SEA)

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