UCSF

ZINC32109643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 27 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) 3.09 8.72 -42.49 0 6 -1 91 441.286 4
Lo Low (pH 4.5-6) 2.63 9.78 -14.86 1 6 0 88 442.294 4

Activity (Go SEA)

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