UCSF

ZINC45357374

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 39 No

Download: MOL2 SDF SMILES Flexibase

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) 7.74 19.03 -34.57 2 8 1 103 527.645 10
Mid Mid (pH 6-8) 7.74 19.25 -19.88 1 8 0 101 526.637 10
Mid Mid (pH 6-8) 7.74 19.54 -41.36 2 8 1 106 527.645 10
Lo Low (pH 4.5-6) 7.74 19.44 -95.09 3 8 2 107 528.653 10

Activity (Go SEA)

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