UCSF

ZINC36851748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 No

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) 0.13 3.45 -45.81 2 5 1 63 229.3 7
Mid Mid (pH 6-8) 0.13 2.11 -7.01 1 5 0 59 228.292 7
Mid Mid (pH 6-8) 0.13 2.12 -11.22 1 5 0 59 228.292 7

Activity (Go SEA)

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