UCSF

ZINC36678178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.87 5.85 -104.33 5 6 2 85 264.377 5
Mid Mid (pH 6-8) 0.87 4.19 -38.38 4 6 1 84 263.369 5
Mid Mid (pH 6-8) -2.04 6.76 -30.24 5 6 1 85 263.369 5

Activity (Go SEA)

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