UCSF

ZINC35844708

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 5.15 12.27 -8.18 0 4 0 21 471.567 10
Mid Mid (pH 6-8) 5.15 13.93 -49.68 1 4 1 22 472.575 10
Mid Mid (pH 6-8) 5.15 14.49 -47.08 1 4 1 22 472.575 10
Lo Low (pH 4.5-6) 5.15 16.19 -146.79 2 4 2 23 473.583 10

Activity (Go SEA)

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