UCSF

ZINC41292192

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 21 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) 3.95 11.01 -17.62 0 4 0 38 287.407 8
Mid Mid (pH 6-8) 3.95 11.31 -30.59 1 4 1 39 288.415 8

Activity (Go SEA)

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