UCSF

ZINC06606409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 4.64 12.08 -19.28 1 4 0 47 369.468 6
Mid Mid (pH 6-8) 4.64 12.48 -41.99 2 4 1 48 370.476 6

Activity (Go SEA)

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