UCSF

ZINC53381976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 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) 2.61 7.28 -107.95 3 3 2 30 256.434 7
Mid Mid (pH 6-8) 2.61 6.06 -31.25 2 3 1 26 255.426 7
Mid Mid (pH 6-8) 2.61 5.23 -34.84 2 3 1 29 255.426 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.