UCSF

ZINC36983734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.25 2.75 -50.55 2 7 -1 115 311.339 7
Mid Mid (pH 6-8) 0.25 2.9 -97.81 1 7 -2 117 310.331 7

Activity (Go SEA)

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