UCSF

ZINC38610005

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 36 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) 4.58 9.9 -12.85 2 7 0 91 474.52 6
Mid Mid (pH 6-8) 4.58 10.66 -52.71 1 7 -1 94 473.512 6
Lo Low (pH 4.5-6) 4.58 10.37 -43.14 3 7 1 93 475.528 6

Activity (Go SEA)

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