UCSF

ZINC32603967

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 31 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) 4.76 12.42 -11.23 2 9 0 94 420.473 6
Lo Low (pH 4.5-6) 4.76 12.75 -36.77 3 9 1 95 421.481 6
Lo Low (pH 4.5-6) 4.76 12.55 -33.48 3 9 1 95 421.481 6

Activity (Go SEA)

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