UCSF

ZINC39914009

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 36 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) 5.04 8.54 -13.04 3 7 0 99 503.986 8
Mid Mid (pH 6-8) 5.04 9.3 -50.87 2 7 -1 102 502.978 8

Activity (Go SEA)

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