UCSF

ZINC33590815

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 35 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) 4.83 8.97 -16.01 1 6 0 64 505.562 11
Mid Mid (pH 6-8) 4.83 11.22 -63.86 2 6 1 65 506.57 11

Activity (Go SEA)

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