UCSF

ZINC37784492

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.62 4.26 -45.83 3 5 1 66 251.354 4
Mid Mid (pH 6-8) 0.62 4.29 -44.04 3 5 1 66 251.354 4
Mid Mid (pH 6-8) 0.62 3.09 -12.26 2 5 0 61 250.346 4
Mid Mid (pH 6-8) 0.62 3.11 -12.05 2 5 0 61 250.346 4

Activity (Go SEA)

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