UCSF

ZINC32267045

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 11 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) 3.90 4.36 -3.91 1 1 0 20 344.828 1
Mid Mid (pH 6-8) 3.90 5.12 -34.45 0 1 -1 23 343.82 1

Activity (Go SEA)

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