UCSF

ZINC37110551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.79 6.26 -31.72 1 3 1 31 174.264 6
Mid Mid (pH 6-8) 1.79 4.42 -4.5 0 3 0 30 173.256 6

Activity (Go SEA)

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