UCSF

ZINC70513634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.37 2.61 -105.86 4 5 2 75 322.515 10
Hi High (pH 8-9.5) 1.37 -1.09 -12.09 2 5 0 70 320.499 10
Mid Mid (pH 6-8) 1.37 0.13 -44.3 3 5 1 74 321.507 10

Activity (Go SEA)

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