UCSF

ZINC36134942

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.56 7.71 -38.14 3 3 1 48 287.358 5
Hi High (pH 8-9.5) 0.56 7.38 -10.11 2 3 0 46 286.35 5

Activity (Go SEA)

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