UCSF

ZINC42449526

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.45 7.13 -42.1 2 4 1 57 254.398 8
Mid Mid (pH 6-8) 2.45 5.67 -9.16 1 4 0 56 253.39 8

Activity (Go SEA)

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