UCSF

ZINC29346337

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 32 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) 4.88 6.48 -43.41 2 3 -1 64 467.47 5
Mid Mid (pH 6-8) 4.88 5.99 -7.55 3 3 0 61 468.478 5

Activity (Go SEA)

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