UCSF

ZINC32070538

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 29 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) 1.63 7.61 -15.47 3 8 0 110 391.431 4
Mid Mid (pH 6-8) 1.60 7.46 -48.11 2 8 1 106 390.423 4

Activity (Go SEA)

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