UCSF

ZINC38907560

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.82 11.18 -19.5 0 7 0 60 470.573 7
Mid Mid (pH 6-8) 3.82 13.39 -59.12 1 7 1 61 471.581 7
Mid Mid (pH 6-8) 3.82 13.21 -44.33 1 7 1 61 471.581 7
Lo Low (pH 4.5-6) 3.82 14.1 -134.63 2 7 2 62 472.589 7

Activity (Go SEA)

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