UCSF

ZINC13123260

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 30 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) 0.82 7.13 -78.23 1 8 0 96 411.458 8
Lo Low (pH 4.5-6) 0.82 6.37 -59.14 2 8 1 93 412.466 8

Activity (Go SEA)

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