UCSF

ZINC44242725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 2.16 1.36 -34.99 2 5 -1 87 345.173 3
Mid Mid (pH 6-8) 2.16 1.35 -8.5 3 5 0 85 346.181 3

Activity (Go SEA)

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