UCSF

ZINC34679174

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 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) 3.56 13.84 -14.72 0 6 0 53 427.499 3
Lo Low (pH 4.5-6) 3.56 14.22 -33.17 1 6 1 54 428.507 3
Lo Low (pH 4.5-6) 3.56 14.19 -34.93 1 6 1 54 428.507 3

Activity (Go SEA)

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