UCSF

ZINC36998841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 1.23 6.74 -31.31 3 2 1 30 221.368 6
Mid Mid (pH 6-8) 1.23 6.98 -114.38 4 2 2 32 222.376 6

Activity (Go SEA)

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