UCSF

ZINC34835058

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 No

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) 6.68 7.57 -8.18 2 4 0 65 437.746 3
Hi High (pH 8-9.5) 7.14 6.32 -90.11 0 4 -2 71 435.73 3
Hi High (pH 8-9.5) 7.14 7.01 -90.18 0 4 -2 71 435.73 3
Mid Mid (pH 6-8) 6.68 8.34 -35.41 1 4 -1 68 436.738 3
Mid Mid (pH 6-8) 6.68 8.75 -35.76 1 4 -1 68 436.738 3

Activity (Go SEA)

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