UCSF

ZINC32597673

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 22 No

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) 5.47 7.76 -43.19 0 3 -1 48 327.816 2
Mid Mid (pH 6-8) 5.02 9.3 -7.2 1 3 0 45 328.824 2
Mid Mid (pH 6-8) 5.02 8.37 -6.36 1 3 0 45 328.824 2
Lo Low (pH 4.5-6) 5.28 8.9 -38.31 0 3 -1 44 327.816 3

Activity (Go SEA)

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