UCSF

ZINC32889487

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 22 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) 3.48 4.05 -12.26 2 4 0 59 327.714 5
Mid Mid (pH 6-8) 3.48 4.71 -43.91 1 4 -1 61 326.706 5

Activity (Go SEA)

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