UCSF

ZINC36767723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 3.15 4.83 -49.57 3 2 1 37 254.762 3
Hi High (pH 8-9.5) 3.15 4.5 -5.1 2 2 0 35 253.754 3

Activity (Go SEA)

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