UCSF

ZINC25964072

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 19 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) 1.14 -1.04 -21.73 4 6 0 111 260.201 0
Hi High (pH 8-9.5) 1.14 -0.55 -47.73 3 6 -1 114 259.193 0

Activity (Go SEA)

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