UCSF

ZINC36804152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.86 7.03 -36.48 2 4 1 35 313.849 8
Mid Mid (pH 6-8) 2.86 6.23 -47.59 2 4 1 38 313.849 8

Activity (Go SEA)

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