UCSF

ZINC36358060

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 32 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) 2.56 3.46 -54.93 1 9 -1 121 427.444 5
Ref Reference (pH 7) 2.38 6.16 -51.26 1 9 -1 118 427.444 5
Lo Low (pH 4.5-6) 2.11 5.33 -14.34 2 9 0 118 428.452 5
Lo Low (pH 4.5-6) 1.92 7.98 -14.46 2 9 0 115 428.452 5

Activity (Go SEA)

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