UCSF

ZINC59521332

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 22 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) 1.07 4.74 -278.74 10 4 4 87 318.594 12
Mid Mid (pH 6-8) 1.07 2.75 -160.43 9 4 3 86 317.586 12

Activity (Go SEA)

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