UCSF

ZINC32580911

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 24 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) 2.20 6.02 -14.19 1 6 0 61 345.834 4
Lo Low (pH 4.5-6) 2.20 6.45 -46.41 2 6 1 63 346.842 4

Activity (Go SEA)

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