UCSF

ZINC49752265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 19 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) 1.34 8.75 -54.3 1 4 1 49 264.393 3
Mid Mid (pH 6-8) 1.34 6.51 -12.2 0 4 0 47 263.385 3

Activity (Go SEA)

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