UCSF

ZINC36669148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.94 8.3 -40.14 2 2 1 20 344.292 6
Mid Mid (pH 6-8) 3.94 10.34 -118.03 3 2 2 21 345.3 6
Mid Mid (pH 6-8) 3.94 10.22 -30.09 2 2 1 16 344.292 6

Activity (Go SEA)

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