UCSF

ZINC37052542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.44 0.08 -22.14 3 7 0 122 235.196 3
Lo Low (pH 4.5-6) 0.44 0.04 -11 3 7 0 118 235.196 3

Activity (Go SEA)

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