UCSF

ZINC32118422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 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) 2.69 7.09 -108.54 4 2 2 32 272.795 5
Mid Mid (pH 6-8) 2.69 4.95 -42.88 3 2 1 31 271.787 5

Activity (Go SEA)

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