UCSF

ZINC44263923

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 1.83 4.32 -59.82 4 4 1 69 225.275 2
Hi High (pH 8-9.5) 1.83 3.9 -77.95 3 4 0 68 224.267 2

Activity (Go SEA)

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