UCSF

ZINC37050652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.96 6.75 -87.6 4 4 2 56 261.369 6
Mid Mid (pH 6-8) 1.96 6.27 -50.11 3 4 1 55 260.361 6

Activity (Go SEA)

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