UCSF

ZINC13895672

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 22 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) 4.58 7.82 -9.1 2 4 0 58 329.812 4
Hi High (pH 8-9.5) 4.58 8.59 -45.03 1 4 -1 60 328.804 4
Mid Mid (pH 6-8) 4.58 8.14 -37.93 3 4 1 59 330.82 4

Activity (Go SEA)

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