UCSF

ZINC37269075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) -2.49 -0.47 -13.15 4 5 0 89 221.26 4
Mid Mid (pH 6-8) -2.49 -0.13 -44.33 5 5 1 91 222.268 4

Activity (Go SEA)

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