UCSF

ZINC34612809

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 2.90 6.82 -15.15 2 6 0 72 377.444 7
Lo Low (pH 4.5-6) 2.90 7.29 -49.71 3 6 1 74 378.452 7

Activity (Go SEA)

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