UCSF

ZINC49754070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 1.33 6.9 -55.97 2 4 1 57 252.382 6
Mid Mid (pH 6-8) 1.33 4.64 -11.23 1 4 0 56 251.374 6

Activity (Go SEA)

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