UCSF

ZINC38097283

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.61 0.05 -34.5 3 3 1 46 160.237 5
Hi High (pH 8-9.5) -0.61 -1.36 -4.53 2 3 0 41 159.229 5

Activity (Go SEA)

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