UCSF

ZINC41572508

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.14 3.34 -47.84 0 5 -1 64 322.435 4
Mid Mid (pH 6-8) 3.07 3.85 -15 1 5 0 66 323.443 3
Lo Low (pH 4.5-6) 2.14 5.8 -60.34 1 5 0 66 323.443 4
Lo Low (pH 4.5-6) 3.07 6.28 -55.81 2 5 1 67 324.451 3

Activity (Go SEA)

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