UCSF

ZINC38610072

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 35 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) 4.54 10.09 -12.7 2 7 0 91 468.557 8
Mid Mid (pH 6-8) 4.54 10.85 -52.24 1 7 -1 94 467.549 8
Lo Low (pH 4.5-6) 4.54 10.54 -44.21 3 7 1 93 469.565 8

Activity (Go SEA)

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