UCSF

ZINC41304700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 27 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) 3.79 11.32 -15.12 0 5 0 41 382.895 4
Mid Mid (pH 6-8) 3.79 12.3 -54.56 1 5 1 42 383.903 4
Lo Low (pH 4.5-6) 3.79 12.63 -109.59 2 5 2 43 384.911 4
Lo Low (pH 4.5-6) 3.79 10.44 -35.31 1 5 1 42 383.903 4

Activity (Go SEA)

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