UCSF

ZINC36876307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 0.70 3.24 -50.23 4 4 1 66 218.28 4
Lo Low (pH 4.5-6) 0.70 3.34 -105.42 5 4 2 67 219.288 4
Lo Low (pH 4.5-6) 0.70 3.36 -105.4 5 4 2 67 219.288 4

Activity (Go SEA)

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