UCSF

ZINC42579923

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 4.08 6.65 -41.13 3 2 1 31 255.47 10
Mid Mid (pH 6-8) 4.08 8.06 -26.65 3 2 1 30 255.47 10
Mid Mid (pH 6-8) 4.08 8.4 -114.24 4 2 2 32 256.478 10

Activity (Go SEA)

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