UCSF

ZINC13861586

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 23 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) 2.04 3.82 -57.14 1 8 -1 116 334.248 2
Lo Low (pH 4.5-6) 2.04 4.2 -56.45 2 8 0 118 335.256 2

Activity (Go SEA)

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