UCSF

ZINC70066612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 16 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) 2.15 6.72 -39.85 2 3 1 44 224.372 8
Lo Low (pH 4.5-6) 2.15 8.23 -109.76 3 3 2 45 225.38 8

Activity (Go SEA)

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