UCSF

ZINC29649830

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 17 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) 4.15 4.37 -14.12 1 4 0 55 313.176 1
Mid Mid (pH 6-8) 4.15 5.92 -58.15 0 4 -1 57 312.168 1

Activity (Go SEA)

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