UCSF

ZINC25534311

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 29 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) 3.95 8.28 -46.36 2 6 1 61 431.818 7
Hi High (pH 8-9.5) 3.95 5.88 -13.48 1 6 0 60 430.81 7

Activity (Go SEA)

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