UCSF

ZINC32587002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 23 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) 4.60 8.03 -44.82 3 3 1 38 319.513 6
Hi High (pH 8-9.5) 4.60 8.07 -34.7 3 3 1 38 319.513 6
Mid Mid (pH 6-8) 4.60 9.06 -110.42 4 3 2 42 320.521 6

Activity (Go SEA)

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