UCSF

ZINC23549729

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 23 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) 4.09 4.12 -22.63 3 6 0 91 379.21 5
Hi High (pH 8-9.5) 4.09 5.15 -59.12 2 6 -1 94 378.202 5

Activity (Go SEA)

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