UCSF

ZINC34671501

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 4.93 12.43 -13.49 1 4 0 42 414.549 8
Lo Low (pH 4.5-6) 4.93 14.25 -43.69 2 4 1 43 415.557 8

Activity (Go SEA)

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