UCSF

ZINC32126771

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 Yes

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) 0.49 0.87 -53.38 3 5 1 59 281.376 7
Hi High (pH 8-9.5) 0.49 -0.64 -7.31 2 5 0 54 280.368 7
Lo Low (pH 4.5-6) 0.49 1.69 -42.26 3 5 1 55 281.376 7

Activity (Go SEA)

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