UCSF

ZINC06095368

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 35 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) 5.02 7.24 -15.65 0 8 0 97 515.657 7
Lo Low (pH 4.5-6) 5.02 7.91 -42.41 1 8 1 98 516.665 7

Activity (Go SEA)

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