UCSF

ZINC32106975

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 35 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) 3.97 11.87 -48.58 0 8 -1 103 493.561 10
Lo Low (pH 4.5-6) 3.51 12.95 -17.93 1 8 0 100 494.569 10

Activity (Go SEA)

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