UCSF

ZINC13861580

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 26 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) 1.95 3.43 -103.98 1 10 -2 157 377.249 3
Lo Low (pH 4.5-6) 1.95 3.81 -97.04 2 10 -1 158 378.257 3

Activity (Go SEA)

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