UCSF

ZINC35162868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 20 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) 0.72 4.24 -12.98 1 7 0 92 275.264 4
Mid Mid (pH 6-8) 1.18 2.45 -49.79 0 7 -1 95 274.256 4

Activity (Go SEA)

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