UCSF

ZINC37303060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 2.26 5.79 -45.57 2 5 1 65 264.301 6
Mid Mid (pH 6-8) 2.26 4.51 -11.99 1 5 0 61 263.293 6

Activity (Go SEA)

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