UCSF

ZINC37987089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) -0.80 1.11 -42.16 3 6 1 75 227.288 4
Hi High (pH 8-9.5) -0.62 -0.81 -31.61 2 6 0 81 226.28 4

Activity (Go SEA)

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