UCSF

ZINC44712937

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.79 2.62 -32.74 0 5 -1 70 203.177 3
Mid Mid (pH 6-8) 0.79 3.08 -10.88 1 5 0 72 204.185 3
Lo Low (pH 4.5-6) 0.79 3.51 -39.18 2 5 1 73 205.193 3

Activity (Go SEA)

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