UCSF

ZINC32592884

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 20 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) 3.62 9.78 -15.02 0 3 0 39 263.296 3
Lo Low (pH 4.5-6) 3.62 9.59 -25.49 1 3 1 40 264.304 3

Activity (Go SEA)

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