UCSF

ZINC36937560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 4.70 9.26 -7.27 2 3 0 44 318.207 2
Lo Low (pH 4.5-6) 4.70 9.45 -29.22 3 3 1 45 319.215 2

Activity (Go SEA)

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