UCSF

ZINC37319127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.64 9.76 -39.53 2 3 1 40 286.443 6
Mid Mid (pH 6-8) 3.64 8.39 -47.57 2 3 1 44 286.443 6

Activity (Go SEA)

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