UCSF

ZINC42914258

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.10 4.86 -114.69 5 4 2 61 279.428 7
Hi High (pH 8-9.5) 2.10 3.13 -45.17 4 4 1 60 278.42 7
Mid Mid (pH 6-8) 2.10 4.59 -32.31 4 4 1 60 278.42 7

Activity (Go SEA)

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