UCSF

ZINC37850466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 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) -0.42 -1.75 -37.98 4 4 1 66 192.279 8
Hi High (pH 8-9.5) -0.42 -3.17 -6.6 3 4 0 62 191.271 8

Activity (Go SEA)

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