UCSF

ZINC32021423

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 1.20 3.5 -49.96 3 3 1 44 222.356 7
Hi High (pH 8-9.5) 1.20 4.63 -33.81 3 3 1 43 222.356 7
Mid Mid (pH 6-8) 1.20 5.33 -135.52 4 3 2 45 223.364 7

Activity (Go SEA)

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