UCSF

ZINC32015106

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 0.98 4.29 -96.92 4 3 2 45 227.377 3
Hi High (pH 8-9.5) 0.98 3.9 -34.09 3 3 1 43 226.369 3
Hi High (pH 8-9.5) 0.98 1.54 -4.18 2 3 0 42 225.361 3

Activity (Go SEA)

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