UCSF

ZINC36677324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 1.98 7.81 -42.99 2 3 1 40 246.378 8
Mid Mid (pH 6-8) 1.98 9 -123.93 3 3 2 45 247.386 8

Activity (Go SEA)

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