UCSF

ZINC70197823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 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) 3.15 7.56 -47.79 1 5 -1 82 353.192 6
Lo Low (pH 4.5-6) 3.15 5.58 -11.45 2 5 0 80 354.2 6

Activity (Go SEA)

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