UCSF

ZINC36366201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 1.48 5.14 -20.34 3 7 0 103 362.389 5
Ref Reference (pH 7) 1.29 7.82 -20.51 3 7 0 99 362.389 5
Lo Low (pH 4.5-6) 1.29 8.27 -53.75 4 7 1 100 363.397 5

Activity (Go SEA)

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