UCSF

ZINC13825376

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 28 Yes

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) 4.28 7.81 -49.07 1 7 -1 91 395.874 7
Lo Low (pH 4.5-6) 4.28 7.8 -15.36 2 7 0 93 396.882 7

Activity (Go SEA)

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