UCSF

ZINC52296390

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 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) -1.47 4.6 -66.97 4 7 0 111 252.274 5
Mid Mid (pH 6-8) -1.47 4.09 -53.6 3 7 -1 110 251.266 5

Activity (Go SEA)

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