UCSF

ZINC32906338

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 33 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) 3.60 9.5 -14.6 1 6 0 56 451.542 7
Lo Low (pH 4.5-6) 3.60 11.43 -47.64 2 6 1 57 452.55 7

Activity (Go SEA)

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