UCSF

ZINC37088132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.81 9.42 -35.6 2 4 0 81 300.383 6
Hi High (pH 8-9.5) 2.81 8.42 -45.4 1 4 -1 76 299.375 6

Activity (Go SEA)

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