UCSF

ZINC23736963

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 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) 4.73 11.23 -13.32 1 7 0 72 491.661 8
Mid Mid (pH 6-8) 4.73 13.18 -46.31 2 7 1 73 492.669 8

Activity (Go SEA)

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