UCSF

ZINC32828434

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 21 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) 0.82 1.7 -8.91 1 6 0 67 292.383 4
Mid Mid (pH 6-8) 0.82 3.67 -42.01 2 6 1 69 293.391 4

Activity (Go SEA)

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