UCSF

ZINC32192926

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 29 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) 3.24 7.37 -49.48 0 7 -1 84 451.311 3
Lo Low (pH 4.5-6) 2.78 8.45 -15.12 1 7 0 80 452.319 3

Activity (Go SEA)

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