UCSF

ZINC25919295

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 22 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) 3.98 10.47 -43.13 2 3 1 34 303.47 5
Mid Mid (pH 6-8) 3.98 8.76 -9.99 1 3 0 32 302.462 5

Activity (Go SEA)

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