UCSF

ZINC39917800

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.14 16.51 -45.93 1 4 1 31 420.621 10
Mid Mid (pH 6-8) 6.14 16.81 -99.34 2 4 2 33 421.629 10

Activity (Go SEA)

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