UCSF

ZINC32398947

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2009 26 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) 2.47 8.91 -53.05 2 5 1 52 355.458 7
Mid Mid (pH 6-8) 2.47 6.63 -12.86 1 5 0 51 354.45 7

Activity (Go SEA)

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