UCSF

ZINC32125159

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 28 No

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) 4.04 10.37 -56.85 3 5 1 49 438.404 6
Mid Mid (pH 6-8) 4.04 7.99 -23.14 2 5 0 48 437.396 6

Activity (Go SEA)

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