UCSF

ZINC34612657

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 No

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) 2.80 7.45 -52.3 0 2 -1 40 191.25 1
Lo Low (pH 4.5-6) 2.80 5.5 -4.7 1 2 0 37 192.258 1

Activity (Go SEA)

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