UCSF

ZINC13799344

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 36 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) 3.67 8.9 -105.53 0 9 -2 134 484.464 7
Ref Reference (pH 7) 3.67 8.78 -104.81 0 9 -2 134 484.464 7
Lo Low (pH 4.5-6) 3.21 11.44 -61.78 1 9 -1 131 485.472 7

Activity (Go SEA)

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