UCSF

ZINC36135333

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 1.14 6.36 -82.57 3 4 2 41 255.406 3
Hi High (pH 8-9.5) 1.14 5.16 -39.25 2 4 1 37 254.398 3

Activity (Go SEA)

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