UCSF

ZINC42864586

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 0.58 2.93 -103.17 4 4 2 54 245.392 8
Hi High (pH 8-9.5) 0.58 -0.88 -6 2 4 0 48 243.376 8
Mid Mid (pH 6-8) 0.58 0.53 -41.49 3 4 1 53 244.384 8
Mid Mid (pH 6-8) 0.58 3.46 -41.21 3 4 1 57 244.384 8

Activity (Go SEA)

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