UCSF

ZINC37820400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.81 -1.4 -58.55 5 7 1 109 305.424 4
Hi High (pH 8-9.5) -0.81 -1.74 -77.17 4 7 0 111 304.416 4

Activity (Go SEA)

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