UCSF

ZINC32128651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 2.76 7.07 -46.21 2 4 -1 79 281.744 4
Mid Mid (pH 6-8) 2.76 7.13 -90.02 1 4 -2 77 280.736 4
Lo Low (pH 4.5-6) 2.76 7.49 -53.65 3 4 0 80 282.752 4

Activity (Go SEA)

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