UCSF

ZINC36983825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.72 2.39 -8.6 1 5 0 59 298.408 4
Mid Mid (pH 6-8) 1.72 3.66 -50.66 2 5 1 63 299.416 4

Activity (Go SEA)

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