UCSF

ZINC32270272

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 22 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) 2.35 4.55 -11.49 1 4 0 42 312.36 5
Mid Mid (pH 6-8) 2.35 6.63 -45.26 2 4 1 43 313.368 5

Activity (Go SEA)

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