UCSF

ZINC32850936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 25 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) 1.83 5.04 -24.08 2 7 0 101 343.383 9
Mid Mid (pH 6-8) 1.83 7.05 -60.19 3 7 1 103 344.391 9

Activity (Go SEA)

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