UCSF

ZINC36230151

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 1.76 7.28 -10.64 1 4 0 47 284.406 4
Hi High (pH 8-9.5) 2.21 6.13 -39.33 0 4 -1 50 283.398 4

Activity (Go SEA)

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